Molecular Properties | |
SMILES: | Cn1cnc(C#CC2(NC3CCN(C(=O)CCl)CC3)CCCCC2)c1 |
MW: | 362.905 |
Fraction sp3: | 0.68 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 50.16 |
cLogP: | 2.2939 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
triple bond
WAR-XCH-b0339bbe-7
0.532
WAR-XCH-e55cba98-6
0.512
WAR-XCH-79d12f6e-5
0.420
CHR-SOS-6c45c019-13
0.400
CHR-SOS-6c45c019-14
0.365
CHR-SOS-b301fc01-4
0.361
CHR-SOS-6c45c019-15
0.358
MAT-POS-13203bf4-1
0.355
GIA-UNK-a79af1bc-1
0.349
CHR-SOS-6c45c019-16
0.337
VIK-SYN-9a3d118a-8
0.326
WAR-XCH-79d12f6e-4
0.326
AAR-POS-0daf6b7e-5
0.325
WAR-XCH-79d12f6e-9
0.315
NIR-THE-0d6461ce-7
0.312
NIR-THE-0d6461ce-1
0.307
NIR-THE-0d6461ce-9
0.307
MAK-UNK-212f693e-13
0.306
MAK-UNK-c97f7c8f-1
0.303
MAR-TRE-6a44bbf2-9
0.303
MAK-UNK-750cfbcc-2
0.303
MAK-UNK-c97f7c8f-2
0.297
SAD-SAT-d8079f6f-4
0.296
LON-WEI-120e5cf5-13
0.293
MAK-UNK-750cfbcc-5
0.291
AAR-POS-0daf6b7e-9
0.291
VIR-GIT-7b3d3065-2
0.291
LON-WEI-120e5cf5-21
0.290
MAK-UNK-6ca90168-22
0.289
LON-WEI-120e5cf5-1
0.287
AAR-POS-f650c5f2-4
0.287
AAR-POS-5507155c-2
0.287
LON-WEI-120e5cf5-17
0.287
LON-WEI-120e5cf5-11
0.286
MAK-UNK-6c8f5f75-1
0.284
WAR-XCH-79d12f6e-8
0.283
SAD-SAT-89668ff1-9
0.278
MAK-UNK-3d7e3904-1
0.277
TAM-UNI-d1c3dd9f-2
0.275
SAD-SAT-29425be4-4
0.274
NIR-THE-0d6461ce-5
0.273
NIR-THE-0d6461ce-6
0.273
MAR-TRE-e82e6c98-65
0.272
SAD-SAT-d8079f6f-5
0.271
SAD-SAT-d8079f6f-3
0.271
NIR-THE-0d6461ce-3
0.271
SAD-SAT-1b030f84-4
0.271
DAV-UNK-07f953a2-1
0.270
WAR-XCH-79d12f6e-7
0.270
WAR-XCH-b0339bbe-18
0.269
LON-WEI-120e5cf5-3
0.269
SAD-SAT-d8079f6f-6
0.268
NIR-THE-0d6461ce-8
0.267
LON-WEI-120e5cf5-10
0.267
MAR-TRE-6a44bbf2-15
0.267
AAR-POS-0daf6b7e-6
0.267
MAK-UNK-750cfbcc-1
0.267
MAK-UNK-750cfbcc-3
0.266
MAR-TRE-6a44bbf2-79
0.266
SAD-SAT-29425be4-6
0.265
LON-WEI-120e5cf5-12
0.265
SAD-SAT-29425be4-28
0.265
YOI-UNK-15f562e8-2
0.264
LON-WEI-120e5cf5-19
0.263
HAR-NEW-e34cb1ae-5
0.262
MAR-TRE-6a44bbf2-86
0.261
LON-WEI-120e5cf5-15
0.261
LON-WEI-120e5cf5-16
0.261
WAR-XCH-b0339bbe-3
0.260
SAD-SAT-29425be4-23
0.260
SAD-SAT-29425be4-27
0.260
YOI-UNK-15f562e8-5
0.259
MAK-UNK-704ed37c-2
0.259
LON-WEI-120e5cf5-20
0.258
LON-WEI-120e5cf5-5
0.258
MAK-UNK-d4768348-6
0.258
YOI-UNK-a533afbc-6
0.258
YOI-UNK-12211982-6
0.258
MAK-UNK-704ed37c-13
0.256
MAK-UNK-6ca90168-11
0.256
MAK-UNK-10dfa458-40
0.255
DUN-NEW-f8ce3686-25
0.255
SAD-SAT-29425be4-20
0.255
SAD-SAT-29425be4-11
0.255
SAD-SAT-89668ff1-3
0.255
MAK-UNK-69bf97dd-5
0.255
DRR-IMP-11d47bff-1
0.253
AAR-POS-0daf6b7e-19
0.253
VIR-GIT-7b3d3065-3
0.253
MAR-TRE-6a44bbf2-66
0.253
MAK-UNK-750cfbcc-4
0.253
NIM-UNI-43fe0159-7
0.253
JOH-UNI-27ac80fd-33
0.253
MAK-UNK-af83ef51-6
0.253
YOI-UNK-12211982-2
0.253
YOI-UNK-a533afbc-2
0.253
SAD-SAT-29425be4-13
0.253
MIH-UNI-e573136b-6
0.252
MAK-UNK-a7992eb3-9
0.252
SAD-SAT-29425be4-3
0.250