Molecule Details

O=C(O)CCc1nc2ccccc2[nH]1
Enamine Mcule MolPort
Molecular Properties
SMILES:
O=C(O)CCc1nc2ccccc2[nH]1
MW: 190.07
Fraction sp3: 0.2
HBA: 2
HBD: 2
Rotatable Bonds: 3
TPSA: 65.98
cLogP: 1.58
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: EN300-13260
Enamine SCR: Z57115077
Mcule: MCULE-3731847757
MolPort: MolPort-000-183-221

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

MAR-TRE-aca67d11-41
0.565

View
O=C(CCc1nc2ccccc2[nH]1)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-66
0.515

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

AAR-POS-0daf6b7e-39
0.490

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CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.431

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

SAD-SAT-f0a2747f-6
0.415

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

MAR-TRE-8a25d817-28
0.406

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N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.393

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

MAR-TRE-d3c2bf0e-16
0.393

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.380

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

MAR-TRE-87acfbcc-73
0.369

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ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.353

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

GAB-REV-4a4e2ff3-3
0.337

View
Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.333

View
CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.317

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

MAR-TRE-1c920f6f-61
0.312

View
Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.310

View
Cc1cc(-c2nc3ccccc3[nH]2)ccc1O

CAS-DEP-751a2458-2
0.308

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

MAR-TRE-1c920f6f-65
0.303

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O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.300

View
N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.300

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

MAR-TRE-9d18ae8c-20
0.296

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

MAR-TRE-143fb005-37
0.296

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

SEB-HKI-06b43755-1
0.295

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O=C(O)CCc1ccc(O)cc1

MAR-TRE-ebcc4ad6-35
0.294

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

MAR-TRE-143fb005-30
0.292

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

COM-UCB-1ef4e90e-3
0.289

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

COM-UCB-8c7d23dc-2
0.289

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

JAR-KUA-672ec752-12
0.288

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FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.286

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

MAR-TRE-143fb005-31
0.274

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

MAR-TRE-143fb005-25
0.274

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O=C(CCc1nc2ncccc2[nH]1)Nc1cccnc1

MAR-TRE-9c797165-12
0.273

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O=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-12
0.272

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CCOc1ncccc1C(=O)NCCc1nc2ccccc2c(=O)[nH]1

MAR-TRE-c8530538-97
0.267

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

MAR-TRE-143fb005-29
0.267

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

MAR-TRE-143fb005-34
0.267

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

MAK-UNK-1bb0b7ee-12
0.266

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

MAR-TRE-143fb005-16
0.266

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

MAK-UNK-b1d4dcd7-1
0.258

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-19
0.256

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

ALP-POS-a30bcdb4-1
0.256

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O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cncnc1

MAR-TRE-be9ff7d2-37
0.253

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

ALP-POS-ddb41b15-9
0.253

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O=C(O)CCc1nc(O)oc1CCl

MAR-TRE-8a25d817-46
0.250

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

ALP-POS-3fc1724e-8
0.250

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c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.247

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

ALP-POS-a30bcdb4-2
0.245

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

MAK-UNK-1bb0b7ee-14
0.245

View
CC(Sc1ccccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1

MAR-TRE-c8530538-50
0.244

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

MAR-TRE-143fb005-17
0.244

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O=C(O)CCC(=O)CNc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-62
0.242

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Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.241

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C=CC(=O)NCCC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1

JUA-UNI-a9dfaed1-5
0.241

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CCNC(=O)c1ccc(NCCc2nc3ccccc3c(=O)[nH]2)nc1

MAR-TRE-c8530538-16
0.241

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O=C(CCc1nc2ncc(Br)cc2[nH]1)Nc1cccnc1

MAR-TRE-67513f76-97
0.241

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

MAR-TRE-143fb005-20
0.241

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

MAR-TRE-143fb005-28
0.241

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

MAR-TRE-143fb005-14
0.241

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Cc1cccc(CCc2nc3cc(Cl)ccc3[nH]2)c1

CAS-DEP-167c18e3-3
0.240

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O=c1oc(Nc2ccccc2)nc2ccccc12

MAT-POS-ea426761-13
0.239

View
O=c1oc(Nc2ccccc2)nc2ccccc12

LON-WEI-4d77710c-72
0.239

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

MAR-TRE-143fb005-13
0.238

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

MAK-UNK-a7992eb3-25
0.236

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

MAR-TRE-143fb005-24
0.235

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CCC(=O)NCCC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1

JUA-UNI-b93289a4-5
0.233

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O=C(O)CNC(=O)Cc1c[nH]c2ccccc12

MAR-UCB-195bc32d-22
0.232

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O=C(O)CCc1ccc(-c2nc(O)oc2CCl)cc1

MAR-TRE-8a25d817-26
0.232

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NC(=O)CSc1nc(SCC(N)=O)c2ccccc2n1

MAR-TRE-f5c2d31c-30
0.229

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C=CC(=O)NC(C(=O)NCc1cc2ccccc2[nH]1)c1cccnc1

NIM-UNI-bb9030bf-7
0.227

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O=C(O)CNC(=O)CNc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-49
0.227

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

MAK-UNK-a7992eb3-12
0.227

View
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnn2ccccc12

MAR-TRE-c8530538-86
0.225

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

MAK-UNK-a7992eb3-4
0.223

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O=C(O)CN(Cc1ccccc1)c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-39
0.222

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O=C(NCCc1nc2ccccc2c(=O)[nH]1)C(c1cccnc1)N1CCCC1

MAR-TRE-c8530538-10
0.221

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Cc1cc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)no1

MAR-TRE-fd17a9b8-55
0.221

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CCNC(=O)c1ccc(NCc2nc3ccccc3c(=O)[nH]2)nc1

MAR-TRE-c8530538-26
0.221

View
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1

MAR-TRE-fd17a9b8-39
0.218

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O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1

MAR-TRE-4b834d9a-82
0.218

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CN(CC(=O)NCc1nc2ccccc2c(=O)[nH]1)Cc1cccnc1

MAR-TRE-c8530538-92
0.218

View
CC(=O)NCCc1c[nH]c2ccccc12

SAN-PRS-3c4a6997-2
0.217

View
Nc1nc2c(s1)CN(C(=O)CCc1c[nH]c3ccccc13)CC2

MAT-POS-ea426761-94
0.217

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

MAK-UNK-1bb0b7ee-5
0.217

View
Cc1cccn2c(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cnc12

MAR-TRE-c8530538-73
0.215

View
O=C(O)CCCCCNc1c[nH]nc1CCl

MAR-TRE-423310b6-94
0.214

View
COc1cc(CNC(=O)Cc2ncc[nH]2)c2ccccc2n1

BAR-COM-4e090d3a-22
0.214

View
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1

MAR-TRE-3e4e6814-100
0.214

View
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccn1

MAR-TRE-fd17a9b8-67
0.214

View
Cc1csc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)n1

MAR-TRE-fd17a9b8-24
0.213

View
Nc1ccc(CCC(=O)N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-23
0.213

View
CC(C)C(NC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccnc1

MAR-TRE-c8530538-76
0.212

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-1
0.212

View
O=C(O)CCCCCCCNc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-58
0.211

View
CN(C)C/C=C/C(=O)Nc1c[nH]c2ccccc12

ANT-OPE-ab37bd51-1
0.211

View
O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1

OLE-CAR-5b17bec5-3
0.211

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

MAR-TRE-c8530538-4
0.211

View
O=C(Cn1nnc2ccccc21)C(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-4
0.209

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

STU-CHA-0f79177c-1
0.209

View
O=C(/C=C/c1cnc2ccccc2n1)c1ccccc1

DRV-DNY-ae159ed1-1
0.208

View
O=C(CCS)N1CCc2c([nH]c3ccccc23)C1

MAR-UCB-195bc32d-12
0.208

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

0.730

View
O=C(CCc1nc2ccccc2[nH]1)NO

0.714

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

0.711

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

0.692

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

0.686

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

0.684

View
O=C(O)CCc1ccccc1CNC(=O)CCc1nc2ccccc2[nH]1

0.683

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

0.675

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

0.675

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

0.675

View
NNC(=O)CCc1nc2ccccc2[nH]1

0.667

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

0.659

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CN(CCCCC(=O)O)C(=O)CCc1nc2ccccc2[nH]1

0.659

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

0.659

View
CC(C)N(CCC(=O)O)C(=O)CCc1nc2ccccc2[nH]1

0.659

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

0.658

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

0.650

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

0.650

View
O=C(O)CCCC(=O)NCCc1nc2ccccc2[nH]1

0.650

View
O=C(O)CCCCC(=O)NCCc1nc2ccccc2[nH]1

0.650

View
O=C(O)CCCNC(=O)NCCCc1nc2ccccc2[nH]1

0.650

View
O=C(O)CCNC(=O)NCCCc1nc2ccccc2[nH]1

0.650

View
O=C(O)CCCNC(=O)C(=O)NCCCc1nc2ccccc2[nH]1

0.650

View
O=C(O)CCNC(=O)CCCc1nc2ccccc2[nH]1

0.650

View
O=C(CCc1nc2ccccc2[nH]1)NCCc1nc2ccccc2[nH]1

0.649

View
O=C(CCc1nc2ccccc2[nH]1)NCc1nc2ccccc2[nH]1

0.649

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

0.649

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

0.649

View
O=C(CCCc1nc2ccccc2[nH]1)NO

0.649

View
O=C(O)CCC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1

0.643

View
O=C(O)CCN(C(=O)CCc1nc2ccccc2[nH]1)C1CC1

0.643

View
CC(C)(CCC(=O)O)NC(=O)CCc1nc2ccccc2[nH]1

0.643

View
CC(CCC(=O)O)NC(=O)CCc1nc2ccccc2[nH]1

0.643

View
O=C(O)CCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1

0.636

View
C[C@H](CC(=O)O)NC(=O)CCc1nc2ccccc2[nH]1

0.634

View
O=C(O)CCCC(=O)NCCCc1nc2ccccc2[nH]1

0.634

View
O=C(O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1

0.634

View
O=C(O)CCCCC(=O)NCCCc1nc2ccccc2[nH]1

0.634

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

0.634

View
O=C(O)CCCCNC(=O)NCCCc1nc2ccccc2[nH]1

0.634

View
CC(CC(=O)O)NC(=O)CCc1nc2ccccc2[nH]1

0.634

View
O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1

0.632

View
O=C(CCc1nc2ccccc2[nH]1)N1CCCC1

0.632

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

0.632

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

0.632

View
CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1nc2ccccc2[nH]1

0.632

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

0.632

View
O=C(CCc1nc2ccccc2[nH]1)N1CCC1

0.632

View
NC(=O)CN(CC(N)=O)C(=O)CCc1nc2ccccc2[nH]1

0.632

View
O=C(CCc1nc2ccccc2[nH]1)N1CC=CC1

0.632

View
O=C(CCc1nc2ccccc2[nH]1)Nc1nc2ccccc2[nH]1

0.632

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

0.632

View
CC(C)CN(CCC(=O)O)C(=O)CCc1nc2ccccc2[nH]1

0.628

View
O=C(O)CCCN(Cc1ccccc1)C(=O)CCc1nc2ccccc2[nH]1

0.628

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

0.628

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

0.625

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

0.625

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

0.625

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

0.625

View
O=C(CCc1nc2ccccc2[nH]1)N1CC(O)C1

0.625

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

0.625

View
C[C@@H](O)CN(C)C(=O)CCc1nc2ccccc2[nH]1

0.625

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

0.625

View
O=C(CO)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1

0.625

View
CN(CC(F)F)C(=O)CCc1nc2ccccc2[nH]1

0.625

View
O=C(O)CNC(=O)CCCc1nc2ccccc2[nH]1

0.625

View
CC(C)N(CC(F)F)C(=O)CCc1nc2ccccc2[nH]1

0.619

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

0.619

View
O=C(O)CC(NC(=O)CCc1nc2ccccc2[nH]1)C(F)(F)F

0.619

View
O=C(O)CC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1

0.619

View
O=C(O)CN(C(=O)CCc1nc2ccccc2[nH]1)C1CC1

0.619

View
O=C(O)CC1(NC(=O)CCc2nc3ccccc3[nH]2)CC1

0.619

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

0.619

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

0.619

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

0.619

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

0.619

View
O=C(O)CN(CCc1ccccc1)C(=O)CCc1nc2ccccc2[nH]1

0.619

View
O=C(O)CCCCCNC(=O)NCCCc1nc2ccccc2[nH]1

0.619

View
CN(CCC(=O)O)C(=O)CCCc1nc2ccccc2[nH]1

0.619

View
O=C(O)CCCCNC(=O)CCCc1nc2ccccc2[nH]1

0.619

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

0.615

View
CN(C(=O)CCc1nc2ccccc2[nH]1)c1ccccc1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N1CCCCCC1

0.615

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

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N1CCCN(C(=O)CCc2nc3ccccc3[nH]2)CC1

0.615

View
CC(=O)NNC(=O)CCc1nc2ccccc2[nH]1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N1CCCCCCC1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N1C2CCC1CC2

0.615

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

0.615

View
CCCC(=O)NNC(=O)CCc1nc2ccccc2[nH]1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N(C1CC1)C1CC1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N(CCc1ccccc1)CCc1ccccc1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)NCCCc1nc2ccccc2[nH]1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)NCC#CCNC(=O)CCc1nc2ccccc2[nH]1

0.615

View
O=C(CCc1nc2ccccc2[nH]1)NNc1ccccc1

0.615

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

0.615

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

0.615

View
O=C(CCc1nc2ccccc2[nH]1)NNc1nc2ccccc2[nH]1

0.615

View
O=C(O)CCc1ncc2ccccn12

0.193

View
O=C([O-])CCCCc1[nH]c2ccccc2[nH+]1

0.193

View
O=C(O)CCCCc1nc2ccccc2[nH]1

0.193

View
O=C(O)C1(Cc2nc3ccccc3[nH]2)CCCC1

0.175

View
O=C(O)CC(O)c1nc2ccccc2[nH]1

0.161

View
CCCCOC(=O)CCc1nc2ccccc2[nH]1.Cl

0.145

View
CCCCOC(=O)CCc1[nH]c2ccccc2[nH+]1.[Cl-]

0.145

View
Cl.NC(Cc1nc2ccccc2[nH]1)C(=O)O

0.145

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

0.145

View
NC(Cc1nc2ccccc2[nH]1)C(=O)O

0.138

View
Cl.OCCCc1nc2ccccc2[nH]1

0.126

View
OCCCc1nc2ccccc2[nH]1

0.117

View
CCOC(=O)CCc1nc2ccccc2[nH]1

0.105

View
COC(=O)CCc1nc2ccccc2[nH]1.Cl

0.078

View
COC(=O)CCc1nc2ccccc2[nH]1

0.069

View
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)O

0.041

View
O(C(=O)CCC1=NC2=C(C=CC=C2)N1)CCC

0.911

View
O(C(=O)CCC1=NC2=C(C=CC=C2)N1)CC=C

0.905

View
O(C(=O)CCC1=NC2=C(C=CC=C2)N1)CC#C

0.902

View
O(C(=O)CCC1=NC2=C(C=CC=C2)N1)CCCC

0.896

View
O(C(=O)CCC1=NC2=C(C=CC=C2)N1)CCOC

0.893

View


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