Molecular Properties | |
SMILES: | C=Cc1ncccc1NC(=O)Cc1cccc(C)c1 |
MW: | 252.317 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 3.21422 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-1
0.703
AGN-NEW-c7b24fe3-3
0.603
AGN-NEW-c7b24fe3-6
0.580
ALP-POS-95b75b4d-9
0.486
EDG-MED-0da5ad92-14
0.438
RAL-THA-2d450e86-13
0.436
AGN-NEW-c7b24fe3-4
0.403
AGN-NEW-c7b24fe3-5
0.385
ALP-POS-95b75b4d-3
0.375
DAR-DIA-0cde14eb-76
0.375
JAN-GHE-83b26c96-14
0.375
ANN-UNI-98d2bf15-2
0.375
RAF-POL-b61b4b25-9
0.364
TRY-UNI-714a760b-6
0.359
JAN-GHE-83b26c96-13
0.359
ALP-POS-95b75b4d-2
0.359
EDJ-MED-e58735b6-2
0.359
ALP-POS-95b75b4d-1
0.354
JAN-GHE-83b26c96-12
0.354
TRY-UNI-714a760b-20
0.354
SAM-UNK-2684b532-13
0.351
ALP-POS-95b75b4d-8
0.351
EDG-MED-0da5ad92-17
0.350
DAR-DIA-0cde14eb-79
0.349
EDJ-MED-e58735b6-1
0.346
ANN-UNI-98d2bf15-5
0.345
ALP-POS-95b75b4d-4
0.345
MAT-POS-bb423b95-2
0.341
DAR-DIA-0cde14eb-14
0.341
MAK-UNK-a7b37c5e-3
0.338
ABI-SAT-4d06482b-2
0.338
MIC-UNK-08cd9c58-1
0.337
MAT-POS-f7918075-3
0.337
DAR-DIA-0cde14eb-77
0.337
TRY-UNI-714a760b-3
0.333
EDG-MED-0da5ad92-16
0.333
EDG-MED-0da5ad92-21
0.333
EDJ-MED-49816e9b-2
0.333
RUB-POS-1325a9ea-14
0.333
PET-UNK-e274cad4-1
0.333
DAR-DIA-0cde14eb-78
0.333
EDJ-MED-e58735b6-3
0.333
DAR-DIA-0cde14eb-1
0.329
JIN-POS-6dc588a4-6
0.329
TRY-UNI-714a760b-19
0.329
DAR-DIA-0cde14eb-2
0.326
RUB-POS-1325a9ea-19
0.325
EDG-MED-0da5ad92-15
0.325
PET-UNK-8df914d1-3
0.325
JIN-POS-6dc588a4-23
0.322
DAR-DIA-0cde14eb-3
0.322
DAR-DIA-0cde14eb-4
0.322
EDG-MED-0da5ad92-18
0.321
MAK-UNK-10dfa458-10
0.321
MAR-TRE-3159af1a-4
0.319
RUB-POS-1325a9ea-4
0.318
MAT-POS-c20a539d-6
0.318
JOH-UNI-61f30276-4
0.318
MAT-POS-29385cc1-3
0.318
JOH-UNI-abfda500-7
0.318
JIN-POS-6dc588a4-2
0.318
EDG-MED-0da5ad92-13
0.316
MAR-TRE-b77b7921-11
0.315
EDJ-MED-e58735b6-4
0.315
AGN-NEW-cce853d0-1
0.315
AGN-NEW-cce853d0-2
0.315
SAD-SAT-24589cd1-8
0.314
MAK-UNK-6ca90168-23
0.313
MAR-TRE-b77b7921-99
0.312
ALP-POS-95b75b4d-6
0.312
MAR-TRE-74c6519b-25
0.312
JIN-POS-6dc588a4-10
0.310
JIN-POS-6dc588a4-24
0.310
JIN-POS-6dc588a4-15
0.310
MAR-TRE-74c6519b-70
0.310
SAM-UNK-2684b532-12
0.310
JIN-POS-6dc588a4-3
0.310
MIC-UNK-d935700b-1
0.310
MAT-POS-bb423b95-5
0.310
SAD-SAT-24589cd1-5
0.310
JIN-POS-6dc588a4-4
0.310
SAD-SAT-7d5528d9-1
0.308
MAT-POS-14ad9fe9-1
0.308
EDJ-MED-239d8ca5-1
0.308
SAD-SAT-24589cd1-3
0.307
ALP-POS-95b75b4d-10
0.307
RUB-POS-1325a9ea-8
0.307
RUB-POS-1325a9ea-15
0.307
VLA-UCB-00f2c2b3-7
0.306
RAL-THA-901e9a10-7
0.304
PET-UNK-f4e47ebd-2
0.304
BRU-LEF-c49414a7-1
0.304
MAR-TRE-3e4e6814-2
0.304
JAN-GHE-5a013bed-10
0.304
MAT-POS-bb423b95-4
0.302
MAT-POS-4211dce8-1
0.302
ALP-POS-95b75b4d-5
0.302
RUB-POS-1325a9ea-17
0.302
ANN-UNI-98d2bf15-3
0.301
JOH-UNI-abfda500-5
0.301