Molecule Details

O=c1cn1
Check Availability on Manifold
Molecular Properties
SMILES:
O=c1cn1
MW: 55.01
Fraction sp3: 0.0
HBA: 2
HBD: 0
Rotatable Bonds: 0
TPSA: 29.96
cLogP: -0.68
Covalent Warhead:
Covalent Fragment: ✔️

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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O=c1nn1

MAK-UNK-4b073b5c-5
0.333

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O=C1CN=CN1

MAK-UNK-4b073b5c-8
0.238

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CC1N=CNC1=O

MAK-UNK-4b073b5c-12
0.217

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O=C1NC(=O)N1

MAK-UNK-4b073b5c-3
0.214

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.211

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Nc1cncnc1

AAR-POS-d2a4d1df-18
0.200

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Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.192

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N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.192

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N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.192

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N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.192

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.192

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CCC1N=CNC1=O

MAK-UNK-4b073b5c-13
0.192

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N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.192

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CC1(C)OC(=O)N(c2cncnc2)C1=O

MAR-TRE-85681e92-43
0.189

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O=C1NCN1

MAK-UNK-4b073b5c-4
0.188

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Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.185

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NC(=O)c1nc(Br)cnc1O

JAS-UND-c13ee042-2
0.182

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Sc1ncc[nH]1

JOH-UNI-163e1b3e-2
0.182

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O=C1NC(=O)N(c2cncnc2)C1=O

MAR-TRE-85681e92-87
0.182

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NC(=O)c1nc(Cl)cnc1O

JAS-UND-c13ee042-1
0.182

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Cc1cnc(-c2ccsc2)nc1

MAK-UNK-5e88aa6a-13
0.176

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CN1C(=O)N(C)C1=O

MAK-UNK-4b073b5c-10
0.176

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Oc1ccccn1

AAR-POS-0daf6b7e-37
0.174

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.174

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COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.172

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COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.172

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CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.172

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CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.172

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CC(O)C1N=CNC1=O

ASH-UNK-e28bb067-10
0.172

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NC(=O)Cc1cncnc1

JOH-IMS-4b4cc7e6-3
0.172

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Cc1ccc(-c2ccsc2)cn1

MAK-UNK-5e88aa6a-14
0.171

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Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1

AAR-POS-dddeddbf-3
0.167

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CN1CC(=O)N(c2cncnc2)C1=O

MAR-TRE-85681e92-72
0.167

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CN1C(=O)NC1=O

MAK-UNK-4b073b5c-11
0.167

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O=C1NCO1

ASH-UNK-e28bb067-4
0.167

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OCc1cncnc1

JOH-IMS-4b4cc7e6-2
0.167

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N#Cc1ncc(-c2ccsc2)cn1

MAK-UNK-ed378e62-27
0.167

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Brc1cccnc1

MAK-UNK-2c1752f0-3
0.167

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NCc1cncnc1

JOH-IMS-4b4cc7e6-1
0.167

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Cc1ccc(-c2ccsc2)nc1

MAK-UNK-5e88aa6a-15
0.167

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O=C(O)CN(CC(=O)O)c1cncnc1

MAR-TRE-85681e92-81
0.161

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N=C(S)c1ncccn1

AAR-POS-5507155c-3
0.160

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O=C1CSC(Nc2cnc(CCl)[nH]2)=N1

MAR-TRE-87acfbcc-37
0.159

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O=C1C2CC=CCC2C(=O)N1c1cncnc1

MAR-TRE-85681e92-62
0.158

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N#Cc1ncc(NC(=O)CCl)cn1

MAK-UNK-72659d64-3
0.158

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

MAR-TRE-87acfbcc-26
0.158

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NS(=O)(=O)c1ccc(-c2ncco2)cc1

IND-SYN-5e5c1c3e-2
0.158

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NS(=O)(=O)c1ccc(-c2ncco2)cc1

IND-SYN-a2b2ab0e-1
0.158

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O=C1CN(c2cnc(CCl)[nH]2)C(=O)NC1=O

MAR-TRE-87acfbcc-56
0.156

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N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.154

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CN(C(=O)CCl)c1cnc(C#N)nc1

MAK-UNK-72659d64-7
0.154

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CC1C(=O)N(c2cncnc2)C(=O)C1(C)C

MAR-TRE-85681e92-82
0.154

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CC(C(N)=O)c1ccc(C#N)nc1

MAK-UNK-9955b1f3-10
0.154

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CCNc1ccc(-c2cccc(=O)[nH]2)cn1

ANN-UNI-26382800-1
0.152

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O=c1[nH]c2[nH]cnc2c(=O)n1-c1cncnc1

MAR-TRE-85681e92-30
0.152

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O=C1OCCC1Nc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-100
0.152

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N#Cc1ncc(-c2cncnc2)cn1

MAK-UNK-ed378e62-38
0.152

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.150

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CN(N)C(=O)c1nc(F)cnc1O

JAS-UND-c13ee042-5
0.150

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CC(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-79
0.150

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N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.150

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O=c1[nH]c(=O)n(-c2cnc(CCl)[nH]2)cc1F

MAR-TRE-87acfbcc-88
0.149

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NC(=O)c1nc(F)c[nH]c1=O

DOM-UNK-a98196c8-1
0.147

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CC(=O)Nc1cncc(N)c1

DAN-PUR-19f24f0c-1
0.147

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COC(=O)C(Nc1cnc(CCl)[nH]1)C(=O)OC

MAR-TRE-87acfbcc-12
0.146

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Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

MAR-TRE-fffca54f-83
0.146

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CC(=O)Nn1cnc(=O)c(C#N)c1

MAR-TRE-3724962b-26
0.146

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N#Cc1ncc(CNC(=O)CCl)cn1

MAK-UNK-72659d64-2
0.146

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O=C1CN(c2c[nH]nc2CCl)C(=O)N1

MAR-TRE-423310b6-51
0.146

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O=c1n(-c2ccccc2)ccn1-c1cccnc1

DAR-DIA-fc970077-3
0.146

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Nc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cn1

MAR-TRE-9c797165-44
0.146

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Cn1c(=O)c2c(ncn2C)n(-c2cncnc2)c1=O

MAR-TRE-85681e92-96
0.146

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.143

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CC(C)C(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-36
0.143

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ClCc1ncc(NCCBr)[nH]1

MAR-TRE-87acfbcc-90
0.143

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Cc1cnc(N)c(CNS(C)(=O)=O)c1

MAR-UNI-9d4da90d-1
0.143

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O=C1c2ccncc2C(=O)N1c1cncnc1

MAR-TRE-85681e92-27
0.143

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N=C(N)Cc1ncncc1N

SUG-SAT-424020ef-2
0.143

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.143

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.143

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CCC(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-41
0.143

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O=C1CCC(CO)N1c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-57
0.143

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COC(=O)CNc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-86
0.143

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CCN1CCN(c2ccc(NC(C)=O)cn2)C1=O

MAR-TRE-67513f76-74
0.143

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NC1=CS(=O)(=O)C1

ABI-SAT-4a04da85-1
0.143

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N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.143

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O=C1NC(=O)N(c2c[nH]nc2CCl)C1=O

MAR-TRE-423310b6-35
0.143

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CNc1ncc(C)cc1CNS(C)(=O)=O

MAR-UNI-9d4da90d-3
0.143

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CC(=O)C(C)c1cccnc1

MAK-UNK-2c1752f0-2
0.143

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N=C(S)c1ncc[nH]1

AAR-POS-5507155c-4
0.143

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Cc1sc2ncn(CCC#N)c(=O)c2c1C

MAR-TRE-1c920f6f-35
0.140

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O=c1c(-c2cccnc2)c[nH]cc1-c1ccccn1

ROM-UNK-ef52a3c9-1
0.140

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CC(O)C(Nc1cnc(CCl)[nH]1)C(=O)O

MAR-TRE-87acfbcc-38
0.140

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CC(=O)N(CC(=O)O)c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-69
0.140

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CN(Cc1cnc(C#N)nc1)C(=O)CCl

MAK-UNK-72659d64-6
0.140

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O=C1N(c2ccccc2)CCN1c1cccnc1

DAR-DIA-fc970077-1
0.140

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Cc1ccncc1N1C(=O)CCNC1=O

KIM-UNI-60f168f5-2
0.140

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O=S(=O)(COc1cncc(Br)c1)NP

JON-UIO-d041ac75-13
0.140

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N#Cc1ncc(Oc2cncnc2)cn1

MAK-UNK-ed378e62-40
0.139

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CC(=O)N(CC(=O)O)c1cncnc1

MAR-TRE-85681e92-77
0.139

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