Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12 |
MW: | 312.07 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 61.96 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-e1b5ac6b-1
1.000
MAT-POS-3b92565d-5
0.632
JIN-POS-6dc588a4-5
0.614
NAU-LAT-a5c7d7cb-9
0.603
MAT-POS-e1b5ac6b-2
0.590
MAT-POS-3b92565d-4
0.590
NAU-LAT-30527ac5-3
0.568
MAT-POS-3b92565d-6
0.565
ADA-UCB-6c2cb422-8
0.522
NAU-LAT-30527ac5-6
0.505
JIN-POS-6dc588a4-19
0.500
MAT-POS-bb423b95-6
0.500
JOH-UNI-6fede743-3
0.500
MAR-UCB-f313ec4d-1
0.500
ADA-UCB-6c2cb422-1
0.481
NAU-LAT-a5c7d7cb-10
0.481
EDJ-MED-c8e7a002-11
0.481
ADA-UCB-6c2cb422-10
0.479
ADA-UCB-6c2cb422-11
0.479
MAT-POS-4211dce8-1
0.474
MAT-UCB-93f6aed8-2
0.467
VLA-UCB-00f2c2b3-7
0.462
JIN-POS-6dc588a4-23
0.457
RUB-POS-1325a9ea-17
0.456
MAT-POS-f7918075-6
0.450
EDJ-MED-50fe53e8-2
0.450
FRA-DIA-0fa076fe-3
0.447
EDG-MED-0da5ad92-21
0.446
JIN-POS-6dc588a4-12
0.444
RUB-POS-1325a9ea-5
0.444
JIN-POS-6dc588a4-24
0.444
JOH-UNI-6fede743-1
0.444
FRA-DIA-0fa076fe-4
0.442
VLA-UNK-4cf5aa07-1
0.442
PET-UNK-158bee2a-1
0.442
MIC-UNK-8971c93c-1
0.439
MAT-POS-f7918075-4
0.439
JAN-GHE-5a013bed-10
0.432
JIN-POS-6dc588a4-13
0.432
RUB-POS-1325a9ea-13
0.432
MIC-UNK-d935700b-1
0.430
NAU-LAT-b7d8c353-3
0.429
BEN-DND-b89db3f2-1
0.429
JAG-UCB-c61058a9-45
0.429
FRA-DIA-e29753f2-1
0.429
VLA-UCB-05e51b3f-18
0.429
VLA-UCB-50c39ae8-11
0.429
EDG-MED-0da5ad92-16
0.427
SAM-UNK-2684b532-13
0.427
ALP-POS-95b75b4d-8
0.427
JIN-POS-6dc588a4-8
0.425
MAT-POS-f7918075-3
0.422
MIC-UNK-08cd9c58-1
0.422
RUB-POS-1325a9ea-15
0.422
ALP-POS-95b75b4d-6
0.421
EDJ-MED-49816e9b-3
0.421
EDJ-MED-49816e9b-5
0.421
EDG-MED-0da5ad92-14
0.421
VLA-UNK-dc1d9354-1
0.420
MAT-POS-bb423b95-9
0.420
EDJ-MED-c8e7a002-12
0.420
VLA-UNK-4cf5aa07-2
0.418
MAT-POS-f7918075-7
0.417
RUB-POS-1325a9ea-1
0.417
PET-UNK-8df914d1-3
0.416
TRY-UNI-714a760b-6
0.416
PET-UNK-7f7e354d-7
0.415
NAU-LAT-a5c7d7cb-11
0.415
JOH-UNI-6fede743-4
0.415
ALP-POS-0c2c77e1-1
0.415
MAT-POS-3cc264b0-1
0.415
EDJ-MED-50fe53e8-1
0.415
MAT-POS-bb423b95-3
0.415
VLA-UNK-411a133b-2
0.413
JIN-POS-6dc588a4-4
0.412
SAM-UNK-2684b532-12
0.412
JAN-GHE-5a013bed-9
0.411
ABI-SAT-4d06482b-2
0.410
MAT-POS-199e2e7c-1
0.410
RUB-POS-1325a9ea-18
0.410
MIC-UNK-d935700b-2
0.410
MAT-POS-bb423b95-8
0.410
JIN-POS-6dc588a4-21
0.410
VLA-UNK-411a133b-1
0.408
NAU-LAT-e1818702-10
0.405
JAN-GHE-5a013bed-7
0.405
TRY-UNI-714a760b-3
0.405
JOH-UNI-abfda500-5
0.405
ANN-UNI-98d2bf15-3
0.405
AGN-NEW-c7b24fe3-4
0.405
AGN-NEW-c7b24fe3-5
0.405
EDG-MED-0da5ad92-17
0.405
JOH-UNI-abfda500-4
0.405
EDJ-MED-a364e151-1
0.405
JOH-UNI-6fede743-2
0.405
MAT-POS-bb423b95-4
0.402
ALP-POS-95b75b4d-5
0.402
JIN-POS-6dc588a4-7
0.402
JIN-POS-6dc588a4-9
0.402
MAT-POS-bb423b95-1
0.402