Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)CN1CCN(C(=O)CCl)CC1 |
MW: | 323.14 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.65 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4680772873 |
MolPort: | MolPort-004-527-326 |
MAR-TRE-6a44bbf2-12
0.538
TAT-ENA-80bfd3e5-30
0.537
NIR-THE-b7e8e081-2
0.521
BEN-DND-6de5dfa0-16
0.521
MAR-TRE-6a44bbf2-47
0.500
SEL-UNI-cd366922-6
0.500
MAR-TRE-6a44bbf2-3
0.486
MAR-TRE-6a44bbf2-97
0.477
MAR-TRE-6a44bbf2-56
0.460
MAK-UNK-7c9d1431-20
0.441
BEN-DND-6de5dfa0-1
0.408
BEN-DND-03406596-7
0.408
BEN-DND-09b88bf4-2
0.408
TAM-UNI-d1c3dd9f-18
0.405
MAK-UNK-7c9d1431-24
0.400
SWA-SYN-6423ea73-1
0.400
DRR-IMP-38dce17f-3
0.400
SWA-SYN-d2e6fa14-1
0.400
BEN-DND-6de5dfa0-11
0.397
NIR-THE-d08c3b48-1
0.397
ALP-POS-6747fa38-1
0.397
VLA-UCB-05e51b3f-1
0.397
NAU-LAT-a5c7d7cb-1
0.397
MAK-UNK-6ca90168-10
0.397
STE-UNK-13e151dd-1
0.392
TAT-ENA-80bfd3e5-20
0.387
AAR-POS-d2a4d1df-41
0.387
BEN-DND-6de5dfa0-19
0.387
EDJ-MED-3c65e9ce-3
0.383
AAR-POS-d2a4d1df-24
0.380
MED-COV-dea4df70-1
0.380
AHN-SAT-de2502ba-7
0.377
MIH-UNI-e573136b-5
0.377
EDJ-MED-3c65e9ce-1
0.373
BEN-DND-93268d01-8
0.373
DRR-IMP-38dce17f-5
0.371
MAK-UNK-7c9d1431-28
0.371
BEN-DND-6de5dfa0-23
0.370
MED-COV-4280ac29-31
0.368
AAR-POS-d2a4d1df-40
0.368
MAR-LAB-ca4662a6-2
0.366
MED-COV-4280ac29-24
0.366
DAR-DIA-fb20be43-3
0.366
SAD-SAT-65574d3f-1
0.361
AHN-SAT-de2502ba-14
0.361
STE-KUL-2e0d2e88-1
0.360
SWA-SYN-6423ea73-2
0.360
BEN-DND-6de5dfa0-24
0.360
SWA-SYN-d2e6fa14-2
0.360
DRR-IMP-38dce17f-1
0.357
MAR-TRE-6a44bbf2-21
0.357
MAK-UNK-7c9d1431-9
0.357
MAK-UNK-6ca90168-9
0.356
MAK-UNK-15efde89-1
0.356
BEN-DND-6de5dfa0-20
0.354
BEN-DND-6de5dfa0-21
0.354
STE-KUL-2e0d2e88-2
0.354
MAK-UNK-7c9d1431-29
0.353
LON-WEI-8f408cad-5
0.352
AAR-POS-0daf6b7e-17
0.352
BEN-DND-09b88bf4-6
0.350
BEN-DND-6de5dfa0-7
0.350
DAR-DIA-fb20be43-5
0.349
TOB-UNK-c2aba166-1
0.349
ANU-UNK-2781581f-1
0.349
RED-SAT-26a928c9-1
0.349
DRR-IMP-38dce17f-6
0.348
AAR-POS-d2a4d1df-25
0.348
AHN-SAT-de2502ba-8
0.348
MAR-TRE-74c6519b-32
0.347
MAR-LAB-efb042c5-5
0.347
MAR-TRE-6a44bbf2-68
0.347
DRR-IMP-38dce17f-4
0.347
AAR-POS-d2a4d1df-35
0.347
MED-COV-4280ac29-15
0.347
AAR-POS-d2a4d1df-27
0.347
HYO-UNK-49a60884-1
0.347
JOH-UNI-0e1753c1-3
0.347
AHN-SAT-de2502ba-15
0.347
MAK-UNK-af83ef51-2
0.347
MAK-UNK-7c9d1431-21
0.347
KOV-VNK-5e1a909f-27
0.347
EDJ-MED-3c65e9ce-2
0.346
AAR-POS-0daf6b7e-21
0.345
MAR-TRE-6a44bbf2-15
0.342
AAR-POS-0daf6b7e-6
0.342
JOK-SYG-18591e8f-1
0.342
BEN-DND-6de5dfa0-22
0.342
PAU-UNI-52c0427f-1
0.341
BRU-LEF-ae0885ba-1
0.341
BEN-DND-09b88bf4-8
0.341
DAR-DIA-fb20be43-4
0.341
BEN-DND-09b88bf4-1
0.341
BEN-DND-6de5dfa0-2
0.341
VIK-SYN-9a3d118a-1
0.338
MAK-UNK-987948f6-2
0.338
LON-WEI-8f408cad-7
0.338
AAR-POS-0daf6b7e-13
0.338
MAK-UNK-212f693e-8
0.338
NEH-REV-107bcf72-5
0.338