Molecule Details

SAD-SAT-edc8a235-2 View Submission
N#CC1CNC(=O)C1
Molecular Properties
SMILES:
N#CC1CNC(=O)C1
MW: 110.05
Fraction sp3: 0.6
HBA: 2
HBD: 1
Rotatable Bonds: 0
TPSA: 52.89
cLogP: -0.35
Covalent Warhead: ✗
Covalent Fragment: ✔️
Source
Enamine BB: EN300-96298
Mcule: MCULE-7040868747
MolPort: MolPort-020-986-993

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

LON-WEI-8f408cad-3

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CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.370

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N#CC1CC1

MAK-UNK-95198336-1
0.308

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.286

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CS(=O)(=O)C1=C(Cl)CC(C#N)C1

ABI-SAT-128a7dc3-7
0.268

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.267

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.258

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.244

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CS(=O)(=O)C1CC(C#N)C1

MAK-UNK-95198336-12
0.243

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.241

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.233

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.233

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CS(=O)(=O)C1CC1C#N

MAK-UNK-95198336-13
0.222

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O=C1CC(c2ccc(S(=O)(=O)NCc3ccco3)cc2)CN1

MAR-TRE-fd17a9b8-21
0.222

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.222

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O=C1NCN1

MAK-UNK-4b073b5c-4
0.222

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N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.217

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Cc1ccc(C)c(NC(=O)[C@H]2CNC(=O)C2)c1

JAG-UCB-ef2c0e8e-9
0.214

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.214

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

MAR-TRE-9c797165-44
0.211

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O=C1NCO1

ASH-UNK-e28bb067-4
0.207

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.205

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

ALP-POS-90e38439-3
0.203

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

MIC-UNK-42806bd5-2
0.203

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

ALP-POS-8b8a49e1-5
0.203

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.200

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.200

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CS(=O)(=O)CC1CCC(C#N)C1

ABI-SAT-3cb25904-2
0.200

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CC1N=CNC1=O

MAK-UNK-4b073b5c-12
0.200

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.200

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.200

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N#CC1CCCN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-2
0.200

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.194

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.194

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.194

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.190

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.190

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N#CC1=C(C=S)N=NC1=O

ABI-SAT-897caeb8-1
0.190

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N#CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

MAR-TRE-6c5ef77a-6
0.189

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O=C1CC(c2cccc(NC(=O)Cc3cncnc3)c2)CN1

RAL-MED-2de63afb-3
0.188

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N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.188

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CCC1N=CNC1=O

MAK-UNK-4b073b5c-13
0.184

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.182

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N#Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

TRY-UNI-bbd40bb4-1
0.181

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O=C1CC[C@@H](C(=O)Nc2cccc(Cl)c2)CN1

JAG-UCB-ef2c0e8e-10
0.180

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N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.178

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C=CC(=O)N(C(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1)c1cncnc1

TRY-UNI-69298daf-4
0.177

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N#Cc1cc([C@@H]2CCNC2=O)cc(Cc2ccccc2)n1

RAJ-NOV-842d5654-2
0.176

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O=C1CN=CN1

MAK-UNK-4b073b5c-8
0.176

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N#CC1(CS(=O)(=O)NC2Cc3cnccc3NC2=O)CC1

NEE-PAC-882c416c-1
0.174

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N#CC1C(c2ccsc2)C(C(N)=O)C(=O)NC1(O)c1ccccc1

MAR-TRE-14ce9fd6-85
0.174

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N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.174

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O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1

MAR-TRE-fffca54f-28
0.173

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CCN1

ALP-POS-8b8a49e1-8
0.172

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.171

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CC(O)C1N=CNC1=O

ASH-UNK-e28bb067-10
0.171

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N#CC1CC(C(F)(F)F)C1O

ABI-SAT-2adc218e-10
0.171

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CC1(C)CC(=O)C(CCC#N)C(=O)C1

MAR-TRE-14ce9fd6-98
0.170

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.167

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CN1C(=O)NC1=O

MAK-UNK-4b073b5c-11
0.167

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O=C1CC(NC(=O)C2CCOc3ccc(Cl)cc32)CN1

MIC-UNK-42806bd5-3
0.167

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O=C1CC(NC(=O)C2CCOc3ccc(Cl)cc32)CN1

ALP-POS-8b8a49e1-1
0.167

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.167

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.167

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N#Cc1ncc(Cc2cncnc2)cn1

MAK-UNK-ed378e62-39
0.167

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N#CC12CC1C2

MAK-UNK-95198336-2
0.167

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O=C1CC2(CCOC2)C(C(=O)Nc2cccnc2)CN1

MAR-TRE-2fd8122f-38
0.164

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CC1CC(=O)C(C)(CCC#N)CN1C

MAR-TRE-0fda4e82-51
0.164

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N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.163

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N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.163

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.163

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N#CC1CCCC(C(F)(F)F)C(O)CC1

ABI-SAT-128a7dc3-9
0.163

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.162

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.162

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CC(C)=C1CCC(C)CC1=O

MAK-UNK-0cb6a3ad-9
0.159

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CC(C)=C1CC[C@@H](C)CC1=O

AAR-POS-fca48359-17
0.159

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Cc1ccncc1NC(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-6
0.159

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Cc1ccncc1NC(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-3
0.159

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N#Cc1nccc(CNC(=O)CCl)n1

MAK-UNK-72659d64-4
0.158

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Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.158

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O=C1CC(C(=O)Nc2cccnc2)CC(=O)N1

MAR-TRE-2fd8122f-27
0.158

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N#CC1C=CC(c2cccnc2)=NC1=O

MAR-TRE-1c920f6f-64
0.158

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N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.158

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CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.158

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N#CC1C(O)C1C(N)=O

ABI-SAT-2adc218e-9
0.158

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CC1C(C#N)C1S(C)(=O)=O

ABI-SAT-3cb25904-5
0.158

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N#Cc1cc([C@@H]2CCNC2=O)cc(Oc2ccccc2)n1

RAJ-NOV-842d5654-3
0.157

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CS(=O)(=O)C1CCC(CF)C(C#N)C1

ABI-SAT-ddc50085-3
0.157

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O=C1CN(C(=O)CCl)CN1

SAD-SAT-edc8a235-10
0.156

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CCCN1CC(C(=O)NCC#N)CC1=O

MAR-TRE-6c5ef77a-42
0.155

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O=C1CC(C(c2ccccc2)N2CC3CC2CN3C(=O)CCl)CCN1

MAK-UNK-5d2caa6f-24
0.154

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O=C1C[C@H](N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CN1

RAL-THA-8f106089-1
0.154

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O=C1CC(N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CN1

EDJ-MED-43f8f7d6-8
0.154

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Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.154

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CC1C(C#N)C1C(N)=O

ABI-SAT-2adc218e-5
0.154

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CC(C1=CCN(C(=O)CCl)C=C1)C1CNC(S(C)(=O)=O)C(C#N)C1

ABI-SAT-96764fe8-1
0.154

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O=C1CC(N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CN1

EDJ-MED-12c4873b-8
0.154

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CC(C1=CCN(C(=O)CCl)C=C1)C1CNC(S(N)(=O)=O)C(C#N)C1

ABI-UNK-6fa18b51-1
0.154

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O=C1C[C@@H](N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CN1

RAL-THA-8f106089-2
0.154

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C=CC(=O)N(C(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1)c1cccnc1

TRY-UNI-69298daf-6
0.153

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CC1CNCCN1c1ccc(C#N)nc1

JOH-UNI-522b0723-3
0.153

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Discussion:

Contributor: Sadit Joarder, SATEC - Fri, 22 May 2020 15:33:13 +0000