Molecule Details

Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

Molecular Properties
SMILES:
Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1
MW: 337.19
Fraction sp3: 0.32
HBA: 5
HBD: 4
Rotatable Bonds: 5
TPSA: 76.21
cLogP: 2.29
Covalent Warhead:
Covalent Fragment:

o-Substituted phenols (2)

mannich_A(296)

CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

AAR-POS-d2a4d1df-20

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Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.520

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

MAK-UNK-a7992eb3-12
0.433

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FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.429

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O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.407

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

MAK-UNK-a7992eb3-19
0.404

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

MAK-UNK-1bb0b7ee-12
0.398

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Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.382

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c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.379

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CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.378

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

MAK-UNK-a7992eb3-4
0.368

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

MAK-UNK-1bb0b7ee-5
0.365

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CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.361

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

JAR-KUA-672ec752-12
0.348

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Oc1ccccc1CNc1nc2ccccc2n1CN1CCNCC1

MAK-UNK-1ac43cfa-2
0.343

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c1ccc(CN2CCNCC2)cc1

DRA-CSI-47e38074-1
0.329

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

MAK-UNK-1bb0b7ee-14
0.322

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

MAK-UNK-a7992eb3-25
0.320

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

MAK-UNK-b1d4dcd7-1
0.312

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

ALP-POS-a30bcdb4-1
0.300

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

SAD-SAT-f0a2747f-6
0.298

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

ALP-POS-3fc1724e-8
0.272

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

SWA-SYN-40d44a84-3
0.269

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

MAR-TRE-87acfbcc-73
0.266

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O=C(CN1CCNCC1)Nc1ccccc1

WIL-LEE-23e8b574-6
0.264

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Cc1cc(-c2nc3ccccc3[nH]2)ccc1O

CAS-DEP-751a2458-2
0.264

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O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-20
0.262

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N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCNCC2)c1

MAK-UNK-748f8b7a-6
0.261

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O=C(CCl)n1cc(-c2nc3ccccc3[nH]2)c2ccc(O)cc21

SEB-HKI-06b43755-1
0.260

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ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.258

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

ALP-POS-a30bcdb4-2
0.256

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CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.256

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

MAR-TRE-1c920f6f-65
0.252

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

MAR-TRE-d3c2bf0e-16
0.250

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N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.250

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N#Cc1ncc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-4
0.250

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N#Cc1cccc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

ERI-UCB-a0b0dbcb-14
0.243

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O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.241

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N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAT-POS-ee51dedd-1
0.240

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N#Cc1nccc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-3
0.239

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Oc1nc(Cc2nc3ccccc3[nH]2)c(CCl)o1

MAR-TRE-8a25d817-28
0.237

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O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.237

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1

ERI-UCB-a0b0dbcb-12
0.234

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

AAR-POS-0daf6b7e-39
0.233

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.231

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

ALP-POS-ddb41b15-9
0.231

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-30
0.230

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NS(=O)(=O)Cc1nc2cccc(CN3CCN(C(=O)CCl)CC3)c2[nH]1

STU-CHA-0f79177c-1
0.229

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N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.229

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.228

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.228

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N#Cc1ncc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-16
0.227

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CCNc1ncc(C#N)cc1N(CN1CCNCC1)C(=O)Nc1cccnc1

JOR-UNI-61e7b1d5-13
0.227

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CC(=O)NCCc1c[nH]c2c(Cc3nc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-3
0.226

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Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.226

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

MAR-TRE-143fb005-34
0.225

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

MAR-TRE-143fb005-29
0.225

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O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1)N1CCNCC1

ALP-POS-c0c213c9-3
0.225

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CC(=O)NCCc1c[nH]c2c(CN3CCNCC3)cc(F)cc12

MAK-UNK-be5ffcbc-2
0.224

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

MAR-TRE-1c920f6f-61
0.224

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O=C1CCCCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)N1

COM-UCB-1ef4e90e-3
0.223

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Nc1cc2c(cn1)N(Cc1cc(O)ccc1O)CCN2C(=O)CCl

NEH-REV-107bcf72-1
0.222

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CCNC(COc1cccc(CN2CCN(C(=O)CCl)CC2)c1)OCC#N

MAK-UNK-af83ef51-20
0.222

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CCNc1ncc(C#N)cc1NCc1c[nH]c2ccccc12

GAB-REV-df64cf17-18
0.222

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CCNc1ncc(C#N)cc1N(CCN1CCNCC1)C(=O)Nc1cccnc1

JOR-UNI-61e7b1d5-27
0.221

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O=C(CCc1nc2ccccc2[nH]1)c1nc(O)sc1CCl

MAR-TRE-aca67d11-41
0.221

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

MAR-TRE-143fb005-14
0.220

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CN(c1cnc(C#N)nc1)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-849bee6c-14
0.220

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O=C(NCc1cccnc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1

MAR-TRE-fd17a9b8-44
0.219

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CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3
0.219

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c1cc(CN2CCOCC2)cc(C2Cc3ccncc3N2)c1

SAD-SAT-7d5528d9-14
0.218

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Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1

AME-NAT-624a42b4-1
0.218

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N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.217

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N#Cc1cccc(N(CN2CCNCC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-12
0.217

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N#Cc1ncc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-7
0.217

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N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-6
0.217

View
Clc1cccc(CN2CCOCC2)c1

AAR-POS-0daf6b7e-29
0.216

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.216

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O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-83
0.216

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.215

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.215

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CCNc1ncc(C#N)cc1CNc1nc2ccccc2o1

GAB-REV-df64cf17-15
0.215

View
N#Cc1ncc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-9
0.215

View
FC(F)(F)COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-16
0.215

View
O=C(CN(C(=O)Cn1nnc2ccc(O)cc21)c1cnc(-c2ccccc2)nc1)N1CCNCC1

ALP-POS-c0c213c9-17
0.214

View
N#Cc1ncccc1-c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-849bee6c-5
0.214

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.214

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COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F

SAD-SAT-5b1897b2-5
0.214

View
N#Cc1nccc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-6
0.214

View
N#Cc1cccc(N(CCN2CCNCC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-26
0.214

View
CC(=O)N1CCN(Cc2cc(C#N)ccc2NC2CC2)CC1

JAN-GHE-fd8d85a5-8
0.214

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CC(=O)N1CCN(Cc2ccc3cc(S(N)(=O)=O)[nH]c3c2)CC1

JAN-GHE-1d98ec1c-3
0.214

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O=C(NS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-43
0.214

View
O=C(Cc1cncnc1)NCN1CCNCC1

MAK-UNK-748f8b7a-5
0.213

View
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)C(=O)NC2=O

COM-UCB-8c7d23dc-2
0.212

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O=C(Nc1cccnc1)N(CN1CCNCC1)c1cccc(Cl)c1

JOR-UNI-2fc98d0b-4
0.212

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Cc1nc(CN2CCN(C(=O)CCl)CC2)c(NCc2cccc(O)c2)c(=O)[nH]1

MAK-UNK-e4a48a85-27
0.212

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-4
0.212

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

PAU-UNI-52c0427f-1
0.212

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

BRU-LEF-ae0885ba-1
0.212

View
NS(=O)(=O)c1ccc2cc(CN3CCN(C(=O)CCl)CC3)ccc2c1

SEL-UNI-cd366922-7
0.212

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c1ccc2[nH]c(NCc3ccc(CN4CCNCC4)cc3)nc2c1

0.729

View
Oc1ccc(Br)cc1CNc1nc2ccccc2[nH]1

0.608

View
Oc1ccc(F)cc1CNc1nc2ccccc2[nH]1

0.608

View
Oc1ccccc1CNc1nc2ccccc2[nH]1

0.583

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

0.574

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

0.566

View
O=[N+]([O-])c1ccc(O)c(CNc2nc3ccccc3[nH]2)c1

0.564

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

0.558

View
CCN1CCN(Cc2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.556

View
OC1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.545

View
c1cc(CNc2nc3ccccc3[nH]2)cc(CN2CCOCC2)c1

0.536

View
O=c1[nH]c(NCc2ccc(CN3CCNCC3)cc2)nc2ccccc12

0.536

View
Cc1cc(CNc2nc3ccccc3[nH]2)c(C)o1

0.528

View
c1ccc(CN2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1

0.527

View
CCN1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.527

View
CC1CN(Cc2cccc(CNc3nc4ccccc4[nH]3)c2)CCO1

0.500

View
Oc1nc2ccccc2cc1CNc1nc2ccccc2[nH]1

0.500

View
Cc1ccc(O)c(CNc2nc3ccccc3[nH]2)n1

0.500

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NC(=O)C1CCN(Cc2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.492

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OC1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)C1

0.492

View
COc1ccc(CNc2nc3ccccc3[nH]2)cc1O

0.491

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COc1ccc(CNc2nc3ccccc3[nH]2)c(O)c1

0.491

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Oc1ccc(Br)c(CNc2nc3ccccc3[nH]2)c1

0.491

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Oc1cccc(CNc2nc3ccccc3[nH]2)c1

0.491

View
Cc1ccccc1CNc1nc2ccccc2[nH]1

0.490

View
OCc1ccccc1CNc1nc2ccccc2[nH]1

0.490

View
Oc1c(Br)cc(Br)cc1CNc1nc2ccccc2[nH]1

0.482

View
Oc1c(Cl)cc(Cl)cc1CNc1nc2ccccc2[nH]1

0.482

View
c1ccc2[nH]c(NCc3ccc(N4CCCC4)cc3)nc2c1

0.481

View
CC1CN(Cc2ccc(CNc3nc4ccccc4[nH]3)cc2)CC(C)O1

0.475

View
OC1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.474

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

0.473

View
c1ccc2[nH]c(NCc3ccc4c(c3)CCC4)nc2c1

0.473

View
Oc1c(Br)cccc1CNc1nc2ccccc2[nH]1

0.473

View
CC(C)(O)c1ccc(CNc2nc3ccccc3[nH]2)cc1

0.473

View
c1ccc2[nH]c(NCc3ccc(N4CCCCC4)cc3)nc2c1

0.473

View
Oc1c(F)cccc1CNc1nc2ccccc2[nH]1

0.473

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O=c1[nH]c2ccc(CNc3nc4ccccc4[nH]3)cc2[nH]1

0.473

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Fc1cc(CNc2nc3ccccc3[nH]2)cc(F)c1F

0.472

View
c1ccc(CNc2nc3ccccc3[nH]2)cc1

0.469

View
Cn1cnc2cc(CNc3nc4ccccc4[nH]3)ccc21

0.466

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

0.464

View
c1ccc2[nH]c(NCc3ccc(N4CCSCC4)cc3)nc2c1

0.464

View
c1ccc2[nH]c(NCc3ccc4c(c3)OCCO4)nc2c1

0.464

View
c1ccc2[nH]c(NCc3ccc4c(c3)COC4)nc2c1

0.464

View
O=C(CNc1nc2ccccc2[nH]1)N1CCNCC1

0.464

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

0.463

View
OCc1cccc(CNc2nc3ccccc3[nH]2)c1

0.463

View
Fc1ccc(CNc2nc3ccccc3[nH]2)c(F)c1

0.463

View
Fc1ccc(CNc2nc3ccccc3[nH]2)cc1F

0.463

View
Cc1cccc(CNc2nc3ccccc3[nH]2)c1C

0.463

View
Cc1ccc(CNc2nc3ccccc3[nH]2)cc1C

0.463

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c1ccc2[nH]c(NCc3ccc(C4CC4)cc3)nc2c1

0.463

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

0.463

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O=C(O)c1ccc(CNc2nc3ccccc3[nH]2)cc1

0.463

View
Cc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
Clc1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
Brc1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
CCc1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
Brc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
Clc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
Fc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
Ic1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
Fc1ccccc1CNc1nc2ccccc2[nH]1

0.462

View
Nc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
NCc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.462

View
O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(CN2CCNCC2)cc1

0.460

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c1ccc2[nH]c(NCC3CCN(Cc4ccncc4)CC3)nc2c1

0.458

View
Cc1ccc(CNc2nc3ccccc3[nH]2)c(N2CCCC2)n1

0.458

View
Cc1ccc(O)c(CNc2nc3cc(Br)ccc3[nH]2)c1

0.458

View
c1ccc2[nH]c(NCc3ccc4c(c3)CCCN4)nc2c1

0.458

View
c1ccc2[nH]c(NCc3ccc4c(c3)OCO4)nc2c1

0.456

View
c1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc2c1

0.456

View
CN1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.456

View
c1cc(CNc2nc3ccccc3[nH]2)c2c(c1)OCCO2

0.456

View
CC(=NNc1nc2ccccc2[nH]1)c1ccc(O)c(CN2CCCCC2)c1

0.455

View
Fc1ccc(F)c(CNc2nc3ccccc3[nH]2)c1

0.455

View
Cc1occc1CNc1nc2ccccc2[nH]1

0.455

View
Brc1sccc1CNc1nc2ccccc2[nH]1

0.455

View
Clc1ccc(CNc2nc3ccccc3[nH]2)c(Cl)c1

0.455

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

0.455

View
COc1ccc(O)c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1

0.453

View
OCc1ccc(O)c(CNC2CCN(c3nc4ccccc4[nH]3)CC2)c1

0.453

View
Fc1cc(F)cc(CNc2nc3ccccc3[nH]2)c1

0.453

View
Cc1cc(C)cc(CNc2nc3ccccc3[nH]2)c1

0.453

View
COc1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)CC2)cc1

0.452

View
Cc1ccc2nc(NCc3ccc(CN4CCC(O)CC4)cc3)[nH]c2c1

0.452

View
OC1CCN(Cc2ccc(CNc3nc4ccc(F)cc4[nH]3)cc2)CC1

0.452

View
O=C1CCCN1Cc1cccc(CNc2nc3ccccc3[nH]2)c1

0.452

View
OCC1CCCN1Cc1ccccc1CNc1nc2ccccc2[nH]1

0.452

View
O=C1CCCN1Cc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.450

View
O=C1CCCN1Cc1ccccc1CNc1nc2ccccc2[nH]1

0.450

View
OCC1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1

0.450

View
O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3O)nc2c1

0.450

View
COCc1cc(CNc2nc3ccccc3[nH]2)ccc1F

0.450

View
O=c1[nH]c2c(cc1CNc1nc3ccccc3[nH]1)CCC2

0.450

View
c1cc(CNc2nc3ccccc3[nH]2)c2c(c1)OCO2

0.448

View
COc1cccc(CNc2nc3ccccc3[nH]2)c1O

0.448

View
c1ccc(N2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1

0.448

View
Oc1ccc(Cl)c(F)c1CNc1nc2ccccc2[nH]1

0.448

View

C(NC1=NC2=C(C=CC=C2)N1)(=O)C1=CC=C(OCCN2CCN(CC3=CC=CC=C3)CC2)C=C1

0.776

View
C(N1CCN(C2=NC3=C(C=CC=C3)N2)CC1)(=O)C1C=CC(OC)=C(C)C=1

0.773

View
C(NC1=NC2=C(C=CC=C2)N1)(=O)C1=CC=C(CN2CCN(CCOC)CC2)C=C1

0.764

View
C1(NCC2=CC(CN(C)C)=C(OC)C=C2)N(C)C2=C(C=CC=C2)N=1

0.763

View
C(NC1=NC2=CC(OC)=CC=C2N1)(=O)C1=CC=C(CN2CCN(CCOC)CC2)C=C1

0.759

View


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