Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 |
MW: | 354.15 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.69 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
GIA-UNK-c4371e97-1
0.786
GIA-UNK-c4371e97-3
0.759
SIM-SYN-f15aaa3a-1
0.466
MAK-UNK-df1a028e-9
0.431
MAK-UNK-6ca90168-11
0.419
SEL-UNI-cd366922-5
0.418
GIA-UNK-7337c2f3-4
0.418
GIA-UNK-4de5abb1-1
0.412
GIA-UNK-7337c2f3-2
0.406
DAR-DIA-3e9bbd81-12
0.406
GIA-UNK-7337c2f3-1
0.403
GIA-UNK-7337c2f3-7
0.397
GIA-UNK-7337c2f3-3
0.391
GIA-UNK-7337c2f3-10
0.391
GIA-UNK-7337c2f3-6
0.391
GIA-UNK-20b63697-1
0.382
GIA-UNK-7337c2f3-5
0.380
GIA-UNK-7337c2f3-8
0.380
GIA-UNK-7337c2f3-12
0.380
GIA-UNK-7337c2f3-9
0.380
GIA-UNK-20b63697-7
0.379
YOI-UNK-12211982-6
0.378
YOI-UNK-a533afbc-6
0.378
DAR-DIA-3e9bbd81-3
0.377
GIA-UNK-20b63697-3
0.375
GIA-UNK-20b63697-6
0.371
GIA-UNK-20b63697-8
0.370
GIA-UNK-7337c2f3-11
0.365
MAR-TRE-6a44bbf2-92
0.364
GIA-UNK-7337c2f3-13
0.360
DAR-DIA-3e9bbd81-11
0.360
MAK-UNK-5d2caa6f-3
0.356
GIA-UNK-20b63697-4
0.356
GIA-UNK-20b63697-2
0.356
GIA-UNK-20b63697-5
0.356
GIA-UNK-7337c2f3-15
0.355
GIA-UNK-20b63697-9
0.351
STE-KUL-2e0d2e88-4
0.346
AAR-POS-0daf6b7e-5
0.343
GIA-UNK-7337c2f3-14
0.342
MAK-UNK-5d2caa6f-4
0.338
DAR-DIA-3e9bbd81-7
0.337
LON-WEI-120e5cf5-5
0.333
MAK-UNK-5d2caa6f-5
0.329
SEL-UNI-cd366922-2
0.329
MAK-UNK-af83ef51-2
0.329
MAK-UNK-3e0761f8-9
0.325
MED-COV-4280ac29-6
0.324
DAR-DIA-3e9bbd81-5
0.322
AAA-OOO-6ef70637-1
0.321
SAD-SAT-c989feaa-4
0.320
LON-WEI-120e5cf5-15
0.319
MAR-TRE-6a44bbf2-86
0.319
MAK-UNK-5d2caa6f-24
0.318
DRR-IMP-38dce17f-3
0.317
MAK-UNK-7c9d1431-24
0.317
MAK-UNK-987948f6-2
0.317
MAK-UNK-90d0606b-3
0.316
WIL-LEE-23e8b574-5
0.314
STE-KUL-2e0d2e88-6
0.314
PAU-WEI-b9b69149-1
0.312
SAL-INS-1c7a5a55-11
0.309
AAR-POS-d2a4d1df-30
0.308
DAR-DIA-3e9bbd81-6
0.308
TAT-ENA-80bfd3e5-13
0.308
MAK-UNK-6ca90168-12
0.308
MED-COV-4280ac29-18
0.307
THO-SYG-4e0386bb-1
0.304
MAK-UNK-95198336-9
0.304
DAN-MCD-9cdc9f7f-1
0.303
DAN-MCD-f396e45b-1
0.303
MAK-UNK-10799360-36
0.303
DUN-NEW-f8ce3686-22
0.301
MAK-UNK-10dfa458-39
0.301
AAR-POS-0daf6b7e-14
0.301
MAR-TRE-fffca54f-75
0.301
JAR-IMP-ed466bb3-2
0.301
AHN-SAT-de2502ba-7
0.299
MAR-TRE-6a44bbf2-21
0.299
MAK-UNK-7c9d1431-9
0.299
MAR-TRE-6a44bbf2-9
0.297
MAK-UNK-3f402c2b-18
0.297
MAK-UNK-7c9d1431-27
0.296
MAK-UNK-3e0761f8-8
0.293
MAK-UNK-5d2caa6f-20
0.293
MAK-UNK-6c8f5f75-1
0.293
MAK-UNK-ec98eaf6-6
0.293
JOE-SYG-2c9a1216-1
0.293
WAR-XCH-79d12f6e-7
0.292
MIH-UNI-e573136b-7
0.291
MED-COV-4280ac29-21
0.290
MAK-UNK-7c9d1431-25
0.289
MAK-UNK-df1a028e-7
0.289
MAR-TRE-6a44bbf2-53
0.289
AHN-SAT-de2502ba-1
0.289
PAU-WEI-c6d65c11-1
0.289
SIM-SYN-7db9eb24-1
0.289
PEI-IMP-e4a008a2-1
0.288
STE-KUL-2e0d2e88-1
0.288
MAK-UNK-ec98eaf6-49
0.287