Molecular Properties | |
SMILES: | NC(=O)C1CCCN1c1ccccc1N1CCN(C(=O)CCl)CC1 |
MW: | 350.85 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.88 |
cLogP: | 1.0281 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
TAM-UNI-d1c3dd9f-9
0.587
DUN-NEW-f8ce3686-2
0.587
TAM-UNI-d1c3dd9f-2
0.494
AAR-POS-d2a4d1df-28
0.471
SAD-SAT-5b1897b2-10
0.470
AHN-SAT-de2502ba-3
0.382
SAD-SAT-5b1897b2-3
0.380
MAR-TRE-6a44bbf2-87
0.362
VIK-SYN-9a3d118a-4
0.362
VIK-SYN-bf9c9ac8-7
0.362
TAM-UNI-c140e31a-16
0.356
SAD-SAT-65574d3f-6
0.353
MAK-UNK-3d7e3904-2
0.349
MAK-UNK-704ed37c-13
0.348
MAK-UNK-704ed37c-11
0.344
SAD-SAT-65574d3f-9
0.342
MAT-POS-162a9720-4
0.338
SAD-SAT-5b1897b2-4
0.338
DRR-IMP-38dce17f-5
0.338
GIA-UNK-20b63697-6
0.338
SAD-SAT-d8079f6f-5
0.333
SIM-SYN-f15aaa3a-1
0.333
KAT-FAI-9b65c29e-2
0.330
MAK-UNK-750cfbcc-5
0.329
SAD-SAT-d8079f6f-6
0.328
ANT-STE-dbb91f63-3
0.326
AAR-POS-0daf6b7e-18
0.324
SAD-SAT-5b1897b2-1
0.324
MAK-UNK-7c9d1431-24
0.324
MAK-UNK-987948f6-2
0.324
DRR-IMP-38dce17f-3
0.324
MAK-UNK-750cfbcc-1
0.323
NIM-UNI-310206f0-7
0.321
MAK-UNK-7c9d1431-27
0.321
MAT-POS-162a9720-5
0.320
DRR-IMP-11d47bff-1
0.319
NIM-UNI-310206f0-1
0.317
NIL-NON-a189c016-1
0.316
WAR-XCH-79d12f6e-7
0.316
MAT-POS-162a9720-2
0.316
NIM-UNI-310206f0-18
0.316
SAD-SAT-1b030f84-9
0.316
NIM-UNI-310206f0-6
0.316
DRR-IMP-38dce17f-4
0.316
RED-RED-10c9212c-41
0.315
NIM-UNI-310206f0-8
0.313
DAN-LON-a5fc619e-1
0.313
MIH-UNI-e573136b-5
0.313
AAR-POS-0daf6b7e-5
0.312
MED-COV-4280ac29-6
0.312
MAR-TRE-6a44bbf2-92
0.312
SAD-SAT-d8079f6f-3
0.311
VIR-GIT-7b3d3065-2
0.310
AAR-POS-0daf6b7e-9
0.310
GIA-UNK-20b63697-5
0.310
MAK-UNK-704ed37c-16
0.309
DUN-NEW-f8ce3686-22
0.309
SEL-UNI-cd366922-5
0.309
NIM-UNI-310206f0-63
0.309
GIA-UNK-20b63697-9
0.307
MAR-TRE-6a44bbf2-21
0.307
AHN-SAT-de2502ba-7
0.307
MAK-UNK-6ca90168-10
0.307
MAK-UNK-7c9d1431-9
0.307
GIA-UNK-20b63697-8
0.306
STE-KUL-2e0d2e88-7
0.306
NIM-UNI-310206f0-48
0.305
NIM-UNI-310206f0-3
0.305
NIM-UNI-310206f0-36
0.304
MAK-UNK-987948f6-15
0.304
LON-WEI-120e5cf5-5
0.304
MAK-UNK-c74072e5-8
0.304
LON-WEI-8f408cad-5
0.303
MAK-UNK-7c9d1431-28
0.303
MAK-UNK-6ca90168-11
0.303
AAR-POS-0daf6b7e-17
0.303
SAD-SAT-bc31ec01-1
0.303
SAD-SAT-1b030f84-4
0.303
NIM-UNI-310206f0-5
0.302
NIM-UNI-310206f0-38
0.302
GIA-UNK-7337c2f3-2
0.301
DAR-DIA-3e9bbd81-12
0.301
MAK-UNK-af83ef51-2
0.300
NIM-UNI-310206f0-28
0.300
STU-CHA-0be58c98-1
0.300
MAK-UNK-52a1ef4b-1
0.300
NIM-UNI-310206f0-44
0.299
MAK-UNK-704ed37c-10
0.299
SAD-SAT-5b1897b2-9
0.299
MAK-UNK-7c9d1431-25
0.298
MAR-TRE-6a44bbf2-53
0.298
WAR-XCH-79d12f6e-8
0.298
GIA-UNK-7337c2f3-12
0.298
AAR-POS-d2a4d1df-29
0.297
MAR-TRE-6a44bbf2-61
0.297
DRR-IMP-38dce17f-6
0.297
STE-KUL-2e0d2e88-1
0.296
MAK-UNK-6ca90168-3
0.296
BEN-DND-76ad4ac9-7
0.296
MAK-UNK-6ca90168-5
0.296