Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)C2CCNCC2)CC1 |
MW: | 335.879 |
Fraction sp3: | 0.61 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 35.58 |
cLogP: | 2.1103 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
VIR-GIT-7b3d3065-2
GIA-UNK-20b63697-6
0.721
GIA-UNK-20b63697-3
0.688
GIA-UNK-20b63697-5
0.688
GIA-UNK-20b63697-2
0.688
GIA-UNK-20b63697-8
0.677
GIA-UNK-20b63697-9
0.662
SIM-SYN-f15aaa3a-1
0.492
MAK-UNK-6ca90168-11
0.470
GIA-UNK-4de5abb1-3
0.466
SEL-UNI-cd366922-5
0.465
MAR-TRE-6a44bbf2-92
0.456
GIA-UNK-20b63697-7
0.449
GIA-UNK-7337c2f3-8
0.446
GIA-UNK-7337c2f3-4
0.444
GIA-UNK-7337c2f3-3
0.438
GIA-UNK-7337c2f3-6
0.438
GIA-UNK-7337c2f3-10
0.438
DAR-DIA-3e9bbd81-12
0.432
GIA-UNK-7337c2f3-2
0.432
SEL-UNI-cd366922-2
0.432
GIA-UNK-7337c2f3-1
0.431
GIA-UNK-20b63697-1
0.431
GIA-UNK-7337c2f3-5
0.427
GIA-UNK-7337c2f3-9
0.427
GIA-UNK-7337c2f3-7
0.425
DAR-DIA-3e9bbd81-11
0.423
GIA-UNK-4de5abb1-1
0.419
GIA-UNK-7337c2f3-11
0.410
GIA-UNK-7337c2f3-12
0.408
GIA-UNK-7337c2f3-13
0.405
GIA-UNK-7337c2f3-15
0.400
MAK-UNK-af83ef51-2
0.397
DRR-IMP-38dce17f-3
0.394
MAK-UNK-7c9d1431-24
0.394
MAK-UNK-5d2caa6f-4
0.383
MED-COV-4280ac29-6
0.375
AAR-POS-0daf6b7e-5
0.375
MAK-UNK-987948f6-2
0.373
AHN-SAT-de2502ba-7
0.371
MIH-UNI-e573136b-7
0.370
MAK-UNK-15efde89-1
0.370
GIA-UNK-7337c2f3-14
0.369
MAK-UNK-3e0761f8-9
0.369
MAK-UNK-10dfa458-39
0.368
MED-COV-4280ac29-23
0.367
MAK-UNK-5d2caa6f-24
0.360
MAK-UNK-5d2caa6f-5
0.357
PAU-WEI-b9b69149-1
0.357
GIA-UNK-c4371e97-2
0.356
MAR-TRE-6a44bbf2-28
0.356
MAK-UNK-7c9d1431-23
0.356
AHN-SAT-de2502ba-14
0.356
SAD-SAT-65574d3f-1
0.356
MED-COV-4280ac29-18
0.354
AHN-SAT-de2502ba-1
0.354
YOI-UNK-a533afbc-6
0.354
YOI-UNK-12211982-6
0.354
MAR-TRE-6a44bbf2-21
0.352
MAK-UNK-7c9d1431-9
0.352
SEL-UNI-cd366922-9
0.349
PAU-WEI-b9b69149-4
0.348
MAK-UNK-7c9d1431-27
0.347
MED-COV-4280ac29-7
0.346
WAL-WAB-df110a02-2
0.345
MED-COV-4280ac29-21
0.344
WAR-XCH-79d12f6e-7
0.342
NIM-UNI-ed9fc491-3
0.341
AAR-POS-0daf6b7e-16
0.338
SWA-SYN-d2e6fa14-1
0.338
SWA-SYN-6423ea73-1
0.338
AAR-POS-d2a4d1df-24
0.338
STE-KUL-2e0d2e88-1
0.338
MAR-TRE-6a44bbf2-86
0.333
LON-WEI-120e5cf5-15
0.333
NIR-THE-0d6461ce-1
0.333
MAR-TRE-6a44bbf2-9
0.329
MAR-TRE-6a44bbf2-77
0.329
LON-WEI-120e5cf5-5
0.329
AAR-POS-0daf6b7e-17
0.329
MAK-UNK-6ca90168-14
0.329
DRR-IMP-38dce17f-7
0.329
LON-WEI-8f408cad-5
0.329
MAK-UNK-7c9d1431-28
0.329
DRR-IMP-38dce17f-5
0.329
SAD-SAT-1b030f84-9
0.327
SIM-SYN-f15aaa3a-2
0.326
SEA-TRI-2c7f3de8-1
0.326
GIA-UNK-4de5abb1-4
0.325
MED-COV-dea4df70-1
0.325
MAK-UNK-af83ef51-1
0.325
MAK-UNK-7c9d1431-12
0.320
MAK-UNK-7c9d1431-20
0.320
MAK-UNK-6ca90168-4
0.320
SAD-SAT-5b1897b2-10
0.319
MED-COV-4280ac29-19
0.318
NEH-REV-107bcf72-2
0.318
MED-COV-4280ac29-25
0.318
SEA-TRI-8222e606-1
0.318
MED-COV-4280ac29-8
0.318
MAK-UNK-212f693e-13
0.316