Molecular Properties | |
SMILES: | O=C(CO)N1CCC(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)CC1 |
MW: | 393.915 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.09 |
cLogP: | 1.3416 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
VIR-GIT-7b3d3065-2
GIA-UNK-20b63697-5
0.730
GIA-UNK-20b63697-6
0.710
GIA-UNK-20b63697-4
0.677
GIA-UNK-20b63697-3
0.677
GIA-UNK-20b63697-2
0.677
GIA-UNK-20b63697-9
0.583
SIM-SYN-f15aaa3a-1
0.508
MAK-UNK-6ca90168-11
0.508
GIA-UNK-4de5abb1-3
0.500
DAR-DIA-3e9bbd81-12
0.466
GIA-UNK-7337c2f3-2
0.466
GIA-UNK-20b63697-7
0.464
SEL-UNI-cd366922-5
0.458
GIA-UNK-7337c2f3-10
0.452
GIA-UNK-4de5abb1-1
0.452
MAR-TRE-6a44bbf2-92
0.449
GIA-UNK-20b63697-1
0.444
GIA-UNK-7337c2f3-1
0.444
GIA-UNK-7337c2f3-5
0.440
GIA-UNK-7337c2f3-8
0.440
GIA-UNK-7337c2f3-4
0.438
GIA-UNK-7337c2f3-7
0.438
GIA-UNK-7337c2f3-3
0.432
GIA-UNK-7337c2f3-6
0.432
SEL-UNI-cd366922-2
0.427
GIA-UNK-7337c2f3-11
0.423
GIA-UNK-7337c2f3-9
0.421
GIA-UNK-7337c2f3-12
0.421
DAR-DIA-3e9bbd81-11
0.418
GIA-UNK-7337c2f3-13
0.418
GIA-UNK-7337c2f3-15
0.412
MED-COV-4280ac29-6
0.408
MAK-UNK-af83ef51-2
0.392
AAR-POS-0daf6b7e-5
0.389
DRR-IMP-38dce17f-3
0.388
MAK-UNK-7c9d1431-24
0.388
MED-COV-4280ac29-18
0.385
YOI-UNK-12211982-6
0.383
YOI-UNK-a533afbc-6
0.383
GIA-UNK-7337c2f3-14
0.381
GIA-UNK-c4371e97-2
0.370
PAU-WEI-b9b69149-1
0.369
MAK-UNK-987948f6-2
0.368
AHN-SAT-de2502ba-7
0.366
MAK-UNK-15efde89-1
0.365
MAR-TRE-6a44bbf2-86
0.365
LON-WEI-120e5cf5-15
0.365
MAK-UNK-3e0761f8-9
0.365
MAK-UNK-10dfa458-39
0.364
MED-COV-4280ac29-23
0.362
MAK-UNK-5d2caa6f-4
0.361
MAK-UNK-7c9d1431-28
0.361
MED-COV-4280ac29-7
0.358
GIA-UNK-4de5abb1-4
0.354
NIM-UNI-ed9fc491-3
0.352
MAR-TRE-6a44bbf2-28
0.351
SAD-SAT-65574d3f-1
0.351
AHN-SAT-de2502ba-14
0.351
MAK-UNK-7c9d1431-23
0.351
AHN-SAT-de2502ba-1
0.350
MIH-UNI-e573136b-7
0.349
MAR-TRE-6a44bbf2-21
0.347
MAK-UNK-7c9d1431-9
0.347
LON-WEI-120e5cf5-5
0.342
MAR-TRE-6a44bbf2-9
0.342
MAK-UNK-6ca90168-22
0.342
MAK-UNK-5d2caa6f-5
0.337
GIA-UNK-4de5abb1-2
0.337
MAK-UNK-212f693e-33
0.333
STE-KUL-2e0d2e88-1
0.333
SWA-SYN-6423ea73-1
0.333
AAR-POS-0daf6b7e-16
0.333
SWA-SYN-d2e6fa14-1
0.333
PAU-WEI-b9b69149-4
0.330
SEA-TRI-8222e606-1
0.329
SEL-UNI-cd366922-9
0.329
NIR-THE-0d6461ce-1
0.329
MAK-UNK-212f693e-13
0.329
MED-COV-4280ac29-21
0.327
PAU-WEI-b9b69149-3
0.326
PAU-WEI-3e86dfd8-2
0.326
GIA-UNK-c4371e97-1
0.325
GIA-UNK-a79af1bc-1
0.325
MAK-UNK-7c9d1431-27
0.325
MAR-TRE-6a44bbf2-77
0.325
DRR-IMP-38dce17f-7
0.324
MAK-UNK-6ca90168-14
0.324
DRR-IMP-38dce17f-5
0.324
AAR-POS-0daf6b7e-17
0.324
LON-WEI-8f408cad-5
0.324
MAK-UNK-7c9d1431-29
0.324
SEA-TRI-2c7f3de8-1
0.322
MED-COV-dea4df70-1
0.321
GIA-UNK-4de5abb1-5
0.321
SAD-SAT-1b030f84-9
0.321
MAK-UNK-af83ef51-1
0.321
SEL-UNI-cd366922-6
0.321
WAR-XCH-79d12f6e-7
0.321
MAR-LAB-ca4662a6-2
0.320
GIA-UNK-c4371e97-3
0.318