Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c(=O)c1C1CC1 |
MW: | 303.08 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.85 |
cLogP: | 2.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-21
MIC-UNK-d935700b-1
0.629
EDG-MED-0da5ad92-21
0.565
EDJ-MED-c8e7a002-12
0.526
RUB-POS-1325a9ea-12
0.519
MAT-POS-bb423b95-4
0.506
ALP-POS-95b75b4d-5
0.506
RUB-POS-1325a9ea-13
0.500
VLA-UCB-00f2c2b3-7
0.494
PET-UNK-8df914d1-3
0.467
JAN-GHE-5a013bed-10
0.466
EDJ-MED-a364e151-3
0.463
ALP-POS-95b75b4d-8
0.459
EDG-MED-0da5ad92-16
0.459
SAM-UNK-2684b532-13
0.459
JOH-UNI-6fede743-3
0.456
JIN-POS-6dc588a4-19
0.456
MAT-POS-bb423b95-6
0.456
TRY-UNI-714a760b-3
0.455
ALP-POS-95b75b4d-6
0.453
MIC-UNK-66895286-1
0.452
MIC-UNK-42806bd5-1
0.452
ALP-POS-90e38439-2
0.452
MAT-POS-500ca5bf-2
0.452
JIN-POS-6dc588a4-9
0.450
TRY-UNI-714a760b-6
0.447
MIC-UNK-fc94cdb5-1
0.446
MAT-POS-f7918075-7
0.446
RUB-POS-1325a9ea-1
0.446
JAN-GHE-5a013bed-9
0.444
JIN-POS-6dc588a4-13
0.444
PET-UNK-8df914d1-5
0.443
ALP-POS-8b8a49e1-8
0.442
ABI-SAT-4d06482b-2
0.442
PET-UNK-b1ef24dc-4
0.439
JIN-POS-6dc588a4-12
0.439
ALP-POS-8b8a49e1-7
0.438
ADA-UCB-6c2cb422-1
0.438
EDG-MED-0da5ad92-17
0.436
JOH-UNI-abfda500-5
0.436
JOH-UNI-abfda500-4
0.436
ANN-UNI-98d2bf15-3
0.436
EDG-MED-0da5ad92-14
0.434
MAT-POS-f7918075-4
0.434
MIC-UNK-8971c93c-1
0.434
JAN-GHE-5a013bed-11
0.432
EDG-MED-0da5ad92-2
0.432
MAT-POS-bb423b95-9
0.432
RUB-POS-1325a9ea-17
0.432
MAT-POS-bb423b95-1
0.432
MAK-UNK-6ca90168-23
0.430
JIN-POS-6dc588a4-20
0.430
EDJ-MED-239d8ca5-1
0.430
JIN-POS-6dc588a4-22
0.427
PET-UNK-b1ef24dc-2
0.427
EDJ-MED-50fe53e8-2
0.427
MAT-POS-f7918075-6
0.427
PET-UNK-7f7e354d-7
0.427
MAT-POS-bb423b95-5
0.425
SAM-UNK-2684b532-12
0.425
SAM-UNK-2684b532-11
0.425
JIN-POS-6dc588a4-3
0.425
JIN-POS-6dc588a4-4
0.425
RUB-POS-1325a9ea-19
0.425
JAN-GHE-5a013bed-6
0.425
PET-UNK-158bee2a-2
0.425
MAT-POS-c20a539d-2
0.424
MAT-POS-90fd5f68-38
0.424
MIC-UNK-4c7b8ba7-1
0.423
MAT-POS-bb423b95-8
0.422
JOH-UNI-6fede743-1
0.422
MAT-POS-199e2e7c-2
0.422
EDJ-MED-076d6e64-1
0.422
RUB-POS-1325a9ea-5
0.422
MAT-POS-f7918075-5
0.422
MAT-POS-199e2e7c-1
0.422
MIC-UNK-50cce87d-1
0.422
JIN-POS-6dc588a4-14
0.422
JIN-POS-6dc588a4-24
0.422
PET-UNK-b1ef24dc-3
0.422
RUB-POS-1325a9ea-2
0.422
PET-UNK-8df914d1-4
0.421
ALP-POS-95b75b4d-7
0.420
JOH-UNI-3fc3434e-3
0.419
JOH-UNI-ee5ed7c8-3
0.419
MAT-POS-90fd5f68-1
0.419
AGN-NEW-c7b24fe3-5
0.418
AGN-NEW-c7b24fe3-4
0.418
MAT-POS-90fd5f68-8
0.418
MIC-UNK-08cd9c58-1
0.417
EDJ-MED-a364e151-1
0.417
MAT-POS-f7918075-8
0.417
MAT-POS-f7918075-3
0.417
RUB-POS-1325a9ea-8
0.417
MIC-UNK-7574fcc6-1
0.417
EDJ-MED-a364e151-2
0.417
RUB-POS-1325a9ea-15
0.417
JIN-POS-6dc588a4-11
0.417
JIN-POS-6dc588a4-23
0.417
PET-UNK-b38839dc-1
0.416
MAT-POS-29385cc1-1
0.416