Molecular Properties | |
SMILES: | Cc1cccc(N(c2ccc(Cl)s2)C2CCN(C(=O)CCl)CC2)c1 |
MW: | 383.344 |
Fraction sp3: | 0.39 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 5.07782 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NIR-THE-0d6461ce-10
0.779
NIR-THE-0d6461ce-12
0.779
MED-COV-4280ac29-4
0.616
MAK-UNK-af83ef51-6
0.421
SIM-SYN-f15aaa3a-2
0.417
NIR-THE-0d6461ce-1
0.416
AAR-POS-d2a4d1df-24
0.387
SAD-SAT-5b1897b2-4
0.378
SAD-SAT-29425be4-20
0.376
LON-WEI-120e5cf5-21
0.373
NIR-THE-0d6461ce-8
0.367
MIH-UNI-e573136b-7
0.365
LON-WEI-120e5cf5-5
0.359
MAK-UNK-10799360-34
0.359
MED-COV-4280ac29-7
0.357
WAL-WAB-df110a02-2
0.356
GIA-UNK-7337c2f3-8
0.349
LON-WEI-120e5cf5-13
0.345
MED-COV-4280ac29-23
0.345
SAD-SAT-d8079f6f-4
0.344
SAD-SAT-f2e2579e-3
0.341
AAR-POS-0daf6b7e-15
0.338
BEN-DND-76ad4ac9-4
0.338
WAR-XCH-79d12f6e-4
0.333
MAK-UNK-7c9d1431-15
0.333
BEN-DND-76ad4ac9-7
0.333
VIK-SYN-9a3d118a-8
0.333
SAD-SAT-29425be4-18
0.333
WAR-XCH-bdd24732-32
0.330
SAD-SAT-29425be4-5
0.330
SEA-TRI-8222e606-1
0.330
SEL-UNI-cd366922-9
0.330
NIR-THE-0d6461ce-9
0.329
STU-CHA-07310c75-1
0.326
MAK-UNK-c97f7c8f-1
0.325
AAR-POS-0daf6b7e-2
0.325
NIL-NON-a189c016-1
0.321
MAT-POS-162a9720-2
0.321
JOH-UNI-0e1753c1-3
0.321
MED-COV-4280ac29-15
0.321
AAR-POS-d2a4d1df-35
0.321
HYO-UNK-49a60884-1
0.321
WAR-XCH-b0339bbe-3
0.319
MAK-UNK-7c9d1431-25
0.318
MAR-TRE-6a44bbf2-53
0.318
AAR-POS-d2a4d1df-36
0.317
JOK-SYG-18591e8f-1
0.317
SAD-SAT-65574d3f-9
0.312
SAD-SAT-29425be4-14
0.310
LON-WEI-120e5cf5-19
0.310
MAK-UNK-987948f6-15
0.309
GIA-UNK-a79af1bc-1
0.309
MIH-UNI-e573136b-6
0.309
SEA-TRI-2c7f3de8-1
0.308
MAK-UNK-6ca90168-11
0.308
STU-CHA-0be58c98-1
0.304
LON-WEI-120e5cf5-14
0.304
NIR-THE-c331be7a-6
0.303
YOI-UNK-a533afbc-6
0.303
YOI-UNK-12211982-6
0.303
MAK-UNK-10dfa458-40
0.302
SAD-SAT-29425be4-16
0.302
AAR-POS-0daf6b7e-3
0.301
WAR-XCH-79d12f6e-6
0.301
RHE-UNK-eb059eb9-1
0.301
AAR-POS-0daf6b7e-6
0.301
MAR-TRE-6a44bbf2-13
0.301
MAR-TRE-6a44bbf2-15
0.301
MED-COV-4280ac29-29
0.301
WAR-XCH-72a8c209-6
0.301
MED-COV-4280ac29-6
0.300
MAK-UNK-212f693e-32
0.300
AAR-POS-0daf6b7e-5
0.300
MAK-UNK-7c9d1431-12
0.300
SAD-SAT-581007d4-2
0.300
NIM-UNI-05f93fcc-11
0.299
YOI-UNK-a533afbc-2
0.299
YOI-UNK-12211982-2
0.299
GIA-UNK-7337c2f3-7
0.298
MAK-UNK-212f693e-10
0.296
MAK-UNK-212f693e-13
0.296
LON-WEI-120e5cf5-15
0.296
MAR-TRE-6a44bbf2-86
0.296
SAD-SAT-29425be4-1
0.296
SAD-SAT-29425be4-22
0.296
DRR-IMP-dff87f5e-4
0.295
LON-WEI-120e5cf5-16
0.294
SAD-SAT-29425be4-3
0.293
LON-WEI-120e5cf5-20
0.293
MAK-UNK-af83ef51-5
0.292
MAK-UNK-750cfbcc-2
0.292
MAK-UNK-6ca90168-15
0.291
LON-WEI-120e5cf5-11
0.291
MAK-UNK-af83ef51-8
0.291
SAD-SAT-c989feaa-8
0.290
SAD-SAT-29425be4-25
0.290
MAK-UNK-750cfbcc-1
0.290
MAK-UNK-6c8f5f75-1
0.290
VIR-GIT-7b3d3065-3
0.289
AAR-POS-0daf6b7e-19
0.289