Molecule Details

CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

Molecular Properties
SMILES:
CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1
MW: 426.564
Fraction sp3: 0.3
HBA: 4
HBD: 2
Rotatable Bonds: 7
TPSA: 53.18
cLogP: 5.6069
Covalent Warhead:
Covalent Fragment: ✔️
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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O=S1(=O)CC(Oc2ccccc2CNc2nc3ccccc3[nH]2)C1

MAK-UNK-1bb0b7ee-12
0.510

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c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

MAK-UNK-a7992eb3-19
0.500

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c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1

MAK-UNK-a7992eb3-12
0.491

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CC1C(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-5
0.439

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c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.431

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c1ccc(C2(COc3ccccc3CNc3nc4ccccc4[nH]3)CCCC2)nc1

MAK-UNK-1bb0b7ee-5
0.427

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O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-4
0.425

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CC1C(Oc2ccccn2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-8
0.424

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CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1

MAK-UNK-1bb0b7ee-14
0.403

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Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.402

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CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-25
0.397

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CC1C(OC2CS(=O)(=O)C2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-11
0.390

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Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.378

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FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.378

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O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.374

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CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-26
0.352

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CC1C(OCC2(c3ccccn3)CCCC2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-4
0.345

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CC1C(OC2CCN(Cc3ccsc3)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-13
0.336

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CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OC1CCCN(Cc2ccccc2)C1C

MAK-UNK-1bb0b7ee-13
0.333

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CC1C(OCC2CN(Cc3ccccc3)CCO2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-20
0.333

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CC1C(O)CCCN1Cc1ccccc1

MAK-UNK-6435e6c2-9
0.330

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CC1C(O)CCCN1Cc1ccccc1

AAR-POS-0daf6b7e-26
0.330

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CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.320

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CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1

JAR-KUA-672ec752-12
0.311

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.306

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O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nc3nc4ccccc4[nH]3)c2)N1

ALP-POS-a30bcdb4-2
0.303

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O=C(Nc1nc2ccccc2[nH]1)C(CCC1CCCCC1)c1cccc(Cl)c1

ALP-POS-3fc1724e-8
0.280

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ClCc1ncc(NCc2nc3ccccc3[nH]2)[nH]1

MAR-TRE-87acfbcc-73
0.264

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Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.255

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COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1

ALP-POS-ddb41b15-9
0.252

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COc1ccc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-37
0.245

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Oc1ccccc1CNc1nc2ccccc2n1CN1CCNCC1

MAK-UNK-1ac43cfa-2
0.244

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C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C

FRA-BIO-8bf1eac9-8
0.238

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CNC(=O)OC1CCN(Cc2ccccc2)CC1

GIA-UNK-595fac82-5
0.238

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O=C(C(Nc1nc2ccccc2[nH]1)c1ccccc1O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-1
0.237

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CC(=O)N1CCN(Cc2cccs2)C(C2C(O)CCCN2Cc2ccccc2)C1

MAK-UNK-b1d4dcd7-9
0.236

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ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.234

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Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cn1

MAR-TRE-74c6519b-24
0.231

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Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)NC2CC2)no1

IFT-SAT-023cfffe-2
0.231

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O=C(S)C1CCN(Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-3
0.230

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.228

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COc1cc(C)c[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-34
0.228

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COc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-29
0.228

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CN(Cc1cc(CC2C(O)CCCN2Cc2ccccc2)on1)C(=O)NC1CC1

IFT-SAT-023cfffe-1
0.227

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Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)CCl)no1

MAK-UNK-987948f6-1
0.227

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O=C(C1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-5
0.226

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CC(=O)N1CCN(Cc2ccccc2)C2NC(=O)N(c3cccnc3)C21

NIM-UNI-36e12f95-2
0.226

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O=C(Nc1ccccc1)c1cccc2[nH]c(NCc3ccccc3O)nc12

SWA-SYN-40d44a84-3
0.225

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CC(=O)N1CCN(Cc2cccs2)CC1C1C(O)CCCN1Cc1ccccc1

MAK-UNK-b1d4dcd7-10
0.225

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COc1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-15
0.224

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-ec98eaf6-5
0.224

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C=CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1

SAD-SAT-f0a2747f-6
0.223

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CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-14
0.222

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CS(=O)(=O)Cc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-39
0.222

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.222

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CCc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-9
0.222

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-25
0.221

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-31
0.221

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CSc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-8
0.220

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NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-c7881798-11
0.220

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NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-82e3a7c7-10
0.220

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CCc1cc(N2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-12
0.220

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CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.219

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CCc1cc(OC2CCN(C)CC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-7
0.219

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CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2CC(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)[nH]c1=O

HUB-UNK-9845d277-6
0.218

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CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)cc1C

MAR-TRE-1c920f6f-61
0.217

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CC(=O)N1CCN(C(c2cccs2)C2C(O)CCCN2Cc2ccccc2)CC1

MAK-UNK-b1d4dcd7-6
0.216

View
O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-c7881798-9
0.216

View
O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-82e3a7c7-9
0.216

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CC(C)(C)NC(=O)C1CCCN1CC(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1

ARI-TAT-5792557e-27
0.216

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Cl[Au+]=c1n(Cc2nc3ccccc3[nH]2)ccn1Cc1nc2ccccc2[nH]1

MAR-TRE-d3c2bf0e-16
0.215

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Cc1c(OCC(F)(F)F)cc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-17
0.215

View
CC(C)(C)NC(=O)C1CCCCN1CC(O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1

ARI-TAT-5792557e-26
0.214

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COc1c(OCC(F)(F)F)cc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-20
0.213

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-28
0.213

View
O=C(CC1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-4
0.213

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N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.211

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-13
0.211

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Cc1cc(CN(C(=O)NC2CC2)C2(C)C(O)CCCN2Cc2ccccc2)no1

IFT-SAT-023cfffe-5
0.211

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N#Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1

MAR-TRE-1c920f6f-65
0.210

View
COCCCOc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-24
0.210

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COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)N1

AAR-POS-fca48359-6
0.207

View
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1

FAR-UNI-736b943a-10
0.207

View
O=C1C(c2cccc(Cl)c2)N(Cc2ccccc2)CCN1c1cccnc1

ERI-UCB-ce40166b-24
0.206

View
O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.206

View
CCN1CCN(Cc2ccccc2CNC2=NC[C@@H](C3CCCC3)N2)CC1

FRA-BIO-8bf1eac9-2
0.205

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CN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1

MAT-POS-ea426761-98
0.205

View
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NC1CCCCC1

MAR-TRE-f6f5f473-89
0.205

View
O=C(NC1CCCC1Oc1cnn(Cc2ccccc2)c1)c1cncnc1

MAR-TRE-92684b97-70
0.205

View
O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.204

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.204

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CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCCC1=O)C1=CC(=O)N(Cc2ccccc2)C1=O

JAN-GHE-86445305-1
0.204

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CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C1=CC(=O)N(Cc2ccccc2)C1=O

JAN-GHE-86445305-2
0.204

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N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.204

View
O=C(NC1(C(=O)O)CCN(Cc2ccccc2)C1)c1cncnc1

MAR-TRE-66ac689e-7
0.203

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Cc1c[n+](-c2nc3ccccc3[nH]2)c(CS)cc1OCC(F)(F)F

MAR-TRE-143fb005-14
0.203

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O=C1CC(Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc43)c2)N1

MAT-POS-c478e61b-1
0.203

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O=C(NCc1nc2ccccc2c(=O)[nH]1)C1CC(=O)N(Cc2ccncc2)C1

MAR-TRE-c8530538-4
0.203

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O=C1CC(Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc43)c2)N1

MAT-POS-3b92565d-12
0.203

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CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CC(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)[nH]c1=O

HUB-UNK-9845d277-11
0.202

View
c1ccc(OCC2CC2)c(CNc2nc3ccccc3[nH]2)c1

0.550

View
COc1ccccc1CNc1nc2ccccc2[nH]1

0.536

View
OCC1CCCN1Cc1ccccc1CNc1nc2ccccc2[nH]1

0.531

View
CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.517

View
CC1CC(Nc2nc3ccccc3[nH]2)CCN1Cc1ccccc1

0.500

View
CC(C)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.500

View
O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)NCC1CC1

0.493

View
O=C(Nc1nc2ccccc2[nH]1)C1CCCN1Cc1ccccc1

0.492

View
CN(C)CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.492

View
COCCOc1ccccc1CNc1nc2ccccc2[nH]1

0.484

View
c1ccc(N2CCCC2)c(CNc2nc3ccccc3[nH]2)c1

0.483

View
c1ccc(CN2CCCC2)c(CNc2nc3ccccc3[nH]2)c1

0.483

View
O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)N1CCCC1

0.478

View
O=C(NNc1nc2ccccc2[nH]1)C1CCCN1Cc1ccccc1

0.478

View
CC1C(OC(=O)c2nnc3ccccc3n2)CCCN1Cc1ccccc1

0.478

View
Cc1nc(C)c(C(=O)OC2CCCN(Cc3ccccc3)C2C)nc1C

0.478

View
CC1CC(CNc2nc3ccccc3[nH]2)CN1Cc1ccccc1

0.477

View
OC1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.476

View
c1ccc(N2CCCCC2)c(CNc2nc3ccccc3[nH]2)c1

0.475

View
FC(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.475

View
FC(F)(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.475

View
c1ccc(C2CC2)c(CNc2nc3ccccc3[nH]2)c1

0.475

View
Ic1ccccc1CNc1nc2ccccc2[nH]1

0.474

View
CC1C(OC(=O)Cc2cc3ccccc3[nH]c2=O)CCCN1Cc1ccccc1

0.472

View
c1cncc(COc2ccccc2CNc2nc3ccccc3[nH]2)c1

0.470

View
O=C1C(Nc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

0.469

View
c1ccc(OCc2ccncc2)c(CNc2nc3ccccc3[nH]2)c1

0.469

View
COc1ccccc1CNC1CCN(Cc2ccccc2)C1C

0.469

View
C=CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.468

View
COc1cccc(CNc2nc3ccccc3[nH]2)c1OC

0.468

View
CC1C(OC(=O)CCc2nc3ccccc3c(=O)[nH]2)CCCN1Cc1ccccc1

0.466

View
CC(=O)NCc1ccc(C(=O)OC2CCCN(Cc3ccccc3)C2C)cc1

0.464

View
Cc1nc(C(=O)OC2CCCN(Cc3ccccc3)C2C)c(C)s1

0.464

View
Cc1cn(C)nc1C(=O)OC1CCCN(Cc2ccccc2)C1C

0.464

View
CC1CCN(S(=O)(=O)Cc2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.463

View
O=C(Nc1nc2ccccc2[nH]1)C1CCCCN1Cc1ccccc1

0.463

View
c1cnc(OC2CCCC2)c(CNc2nc3ccccc3[nH]2)c1

0.462

View
CCN1CCCC1CNc1nc2ccccc2[nH]1

0.460

View
CCN1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.460

View
FC(F)(F)COc1ccccc1CNc1nc2ccccc2[nH]1

0.460

View
COc1cccc(CNc2nc3ccccc3[nH]2)c1O

0.460

View
C#CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.460

View
COc1cccc(CNc2nc3ccccc3[nH]2)c1F

0.460

View
Cc1cc([N+](=O)[O-])cc(C(=O)OC2CCCN(Cc3ccccc3)C2C)n1

0.458

View
Cc1ccc(CNc2nc3ccccc3[nH]2)c(OC2CCOC2)c1

0.457

View
CC1C(OC(=O)c2ccc(CNC(N)=O)cc2)CCCN1Cc1ccccc1

0.457

View
CC1C(OC(=O)c2ccc(-n3cnnc3)cc2)CCCN1Cc1ccccc1

0.457

View
Cc1nc(C(=O)OC2CCCN(Cc3ccccc3)C2C)c(C)o1

0.457

View
CC1C(OC(=O)c2ncccc2F)CCCN1Cc1ccccc1

0.457

View
CC1C(OC(=O)Cc2ccccc2CC#N)CCCN1Cc1ccccc1

0.457

View
CNC(=O)c1cccc(C(=O)OC2CCCN(Cc3ccccc3)C2C)n1

0.457

View
CC1C(OC(=O)Cc2ccccc2S(C)(=O)=O)CCCN1Cc1ccccc1

0.457

View
c1ccc(OCCN2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1

0.456

View
c1ccc(CNc2nc3ccccc3[nH]2)cc1

0.455

View
CC1CN(Cc2ccccc2)CCC1Nc1nc2ccccc2[nH]1

0.455

View
OC1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)C1

0.455

View
COC(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.455

View
Cn1cc(CNc2nc3ccccc3[nH]2)c(C2CCCC2)n1

0.455

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Cn1cc(CNc2nc3ccccc3[nH]2)c(C2CCC2)n1

0.455

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CC1C(OC(=O)CCC(N)=O)CCCN1Cc1ccccc1

0.455

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CC1C(OC(=O)c2ncccn2)CCCN1Cc1ccccc1

0.455

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O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3CN3CCCC3CO)nc2c1

0.453

View
CC1C(OC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCCN1Cc1ccccc1

0.453

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CC1CCCCC1OCCNc1nc2ccccc2[nH]1

0.453

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OC1CCN(Cc2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.453

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OCCCCOc1ccccc1CNc1nc2ccccc2[nH]1

0.453

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c1ccc(CN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1

0.452

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O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3OCC3CC3)nc2c1

0.451

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Cc1ccc(CNc2nc3ccccc3[nH]2)c(OCC2CCCO2)c1

0.451

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CC1C(OC(=O)c2csc(C3CC3)n2)CCCN1Cc1ccccc1

0.451

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CC1C(OC(=O)c2nn(C)cc2Br)CCCN1Cc1ccccc1

0.451

View
CC1C(OC(=O)c2nn(C)cc2Cl)CCCN1Cc1ccccc1

0.451

View
Cc1nc(C(=O)OC2CCCN(Cc3ccccc3)C2C)c2ccccn12

0.451

View
CC1C(OC(=O)Cc2ccc(-n3cnnc3)cc2)CCCN1Cc1ccccc1

0.451

View
COc1ccccc1CCNc1nc2ccccc2[nH]1

0.450

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COCc1ccccc1CNc1nc2ccccc2[nH]1

0.450

View
Cc1cccc(CNc2nc3ccccc3[nH]2)c1C

0.450

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O=C(NNc1nc2ccccc2[nH]1)C1CCCCN1Cc1ccccc1

0.449

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CC1CCCCN1Cc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1

0.449

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CCC(NC(C)=O)C(=O)OC1CCCN(Cc2ccccc2)C1C

0.449

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CC1C(OC(=O)c2ccn(C)n2)CCCN1Cc1ccccc1

0.449

View
CC1C(OC(=O)C2CCS(=O)(=O)N2)CCCN1Cc1ccccc1

0.449

View
CC1C(OC(=O)c2ccsn2)CCCN1Cc1ccccc1

0.449

View
Cc1cc(C(=O)OC2CCCN(Cc3ccccc3)C2C)nc(C)n1

0.449

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Cc1ccccc1CNc1nc2ccccc2[nH]1

0.448

View
CCc1ccccc1CNc1nc2ccccc2[nH]1

0.448

View
Fc1ccccc1CNc1nc2ccccc2[nH]1

0.448

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O=c1[nH]c(NCC2CCCN2Cc2ccccc2)nc2ccccc12

0.448

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c1ccc(OCc2cscn2)c(CNc2nc3ccccc3[nH]2)c1

0.448

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CN(C)C(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.448

View
Cn1cc(CNc2nc3ccccc3[nH]2)c(C2CCCCC2)n1

0.448

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CC(=O)NCC(=O)OC1CCCN(Cc2ccccc2)C1C

0.448

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CNC(=O)CCC(=O)OC1CCCN(Cc2ccccc2)C1C

0.448

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O=c1[nH]c(NCc2ccccc2OC2CCCC2)nc2ccccc12

0.446

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c1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)C2)cc1

0.446

View
CCOc1cccc(CNc2nc3ccccc3[nH]2)c1OC

0.446

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Cn1cc(CNc2nc3ccccc3[nH]2)c(C2CC2)n1

0.446

View
Clc1c(CNc2nc3ccccc3[nH]2)cnn1Cc1ccccc1

0.446

View
CSc1ncc(Cl)c(C(=O)OC2CCCN(Cc3ccccc3)C2C)n1

0.446

View
c1cc(CNc2nc3ccccc3[nH]2)cc(CN2CCCC2)c1

0.444

View

C(NC1=NC2=CC(OCC)=CC=C2N1)(=O)C1=CC=C(CN2CCCCC2)C=C1

0.718

View
C(NC1=NC2=CC(OC)=CC=C2N1)(=O)C1=CC=C(CN2CCCCC2)C=C1

0.707

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