Molecular Properties | |
SMILES: | Cc1ccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 342.15 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SIM-SYN-f15aaa3a-1
0.800
GIA-UNK-7337c2f3-10
0.741
GIA-UNK-7337c2f3-1
0.737
GIA-UNK-7337c2f3-4
0.724
MED-COV-4280ac29-23
0.705
GIA-UNK-7337c2f3-8
0.689
GIA-UNK-7337c2f3-12
0.689
GIA-UNK-4de5abb1-1
0.629
GIA-UNK-7337c2f3-2
0.619
DAR-DIA-3e9bbd81-12
0.619
GIA-UNK-7337c2f3-15
0.612
GIA-UNK-7337c2f3-5
0.609
GIA-UNK-7337c2f3-9
0.585
GIA-UNK-7337c2f3-11
0.582
GIA-UNK-7337c2f3-13
0.574
DAR-DIA-3e9bbd81-11
0.574
GIA-UNK-7337c2f3-3
0.554
GIA-UNK-7337c2f3-6
0.554
MED-COV-4280ac29-18
0.515
MED-COV-4280ac29-6
0.508
MAK-UNK-6ca90168-12
0.500
MED-COV-4280ac29-7
0.500
GIA-UNK-4de5abb1-5
0.493
MAR-TRE-6a44bbf2-92
0.484
GIA-UNK-7337c2f3-14
0.480
GIA-UNK-20b63697-7
0.477
SEL-UNI-cd366922-5
0.471
SEL-UNI-cd366922-2
0.457
GIA-UNK-20b63697-1
0.456
WAL-WAB-df110a02-2
0.453
SIM-SYN-f15aaa3a-2
0.447
GIA-UNK-20b63697-2
0.444
GIA-UNK-20b63697-5
0.444
GIA-UNK-20b63697-6
0.443
GIA-UNK-20b63697-8
0.438
MED-COV-4280ac29-21
0.437
GIA-UNK-4de5abb1-4
0.432
PAU-WEI-b9b69149-3
0.430
SEA-TRI-2c7f3de8-1
0.429
AAR-POS-d2a4d1df-25
0.429
AHN-SAT-de2502ba-8
0.429
GIA-UNK-4de5abb1-2
0.429
MIH-UNI-e573136b-7
0.427
GIA-UNK-20b63697-4
0.425
GIA-UNK-20b63697-3
0.425
MAK-UNK-af83ef51-2
0.420
MAK-UNK-6ca90168-11
0.409
MAR-LAB-efb042c5-5
0.403
AAR-POS-d2a4d1df-27
0.403
MAR-TRE-6a44bbf2-68
0.403
SEA-TRI-8222e606-1
0.403
SEL-UNI-cd366922-9
0.403
PAU-WEI-b9b69149-6
0.400
PAU-WEI-3e86dfd8-2
0.397
GIA-UNK-20b63697-9
0.397
GIA-UNK-c4371e97-2
0.397
AAR-POS-d2a4d1df-24
0.397
DRR-IMP-38dce17f-3
0.397
MAK-UNK-987948f6-2
0.397
MAK-UNK-7c9d1431-24
0.397
AHN-SAT-de2502ba-7
0.394
PAU-WEI-b9b69149-1
0.392
MAK-UNK-10dfa458-39
0.389
TAT-ENA-80bfd3e5-30
0.389
SAD-SAT-5b1897b2-4
0.388
MAR-TRE-6a44bbf2-12
0.386
MAR-TRE-6a44bbf2-77
0.386
NEH-REV-107bcf72-2
0.383
MIH-UNI-e573136b-6
0.373
AHN-SAT-de2502ba-1
0.373
MAK-UNK-7c9d1431-9
0.373
MAR-TRE-6a44bbf2-21
0.373
MAK-UNK-6ca90168-10
0.373
NIM-UNI-ed9fc491-3
0.372
YOI-UNK-a533afbc-6
0.372
YOI-UNK-12211982-6
0.372
MAK-UNK-ec98eaf6-9
0.370
NIM-UNI-05f93fcc-11
0.368
PAU-WEI-b9b69149-4
0.365
MAK-UNK-7c9d1431-21
0.361
MAK-UNK-df1a028e-9
0.361
MED-COV-dea4df70-1
0.359
MAK-UNK-6ca90168-4
0.357
MAK-UNK-7c9d1431-20
0.357
MAR-TRE-6a44bbf2-28
0.357
MAK-UNK-7c9d1431-23
0.357
AHN-SAT-de2502ba-14
0.357
SAD-SAT-65574d3f-1
0.357
GIA-UNK-c4371e97-3
0.354
SAD-SAT-65574d3f-9
0.353
SAD-SAT-1b030f84-9
0.353
SAD-SAT-5b1897b2-3
0.353
MAK-UNK-15efde89-1
0.352
NIR-THE-0d6461ce-1
0.351
DAN-MCD-1c3944e2-1
0.348
MED-COV-4280ac29-34
0.348
MAK-UNK-7c9d1431-28
0.348
MAK-UNK-7c9d1431-27
0.347
NIM-UNI-05f93fcc-2
0.346
GIA-UNK-c4371e97-1
0.346