Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc(C(F)F)c2ccccc12 |
MW: | 346.07 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JIN-POS-6dc588a4-24
0.662
RUB-POS-1325a9ea-17
0.657
JIN-POS-6dc588a4-23
0.608
ADA-UCB-6c2cb422-1
0.575
JOH-UNI-6fede743-2
0.545
MAT-POS-c0609ef7-1
0.537
JIN-POS-6dc588a4-13
0.519
MAT-POS-f7918075-6
0.519
EDJ-MED-50fe53e8-2
0.519
MAT-POS-bb423b95-8
0.513
MIC-UNK-51049f1a-5
0.512
MAT-POS-bb423b95-9
0.506
MAT-POS-bb423b95-1
0.506
JIN-POS-6dc588a4-11
0.506
MAT-POS-29385cc1-3
0.500
SAM-UNK-2684b532-11
0.500
MAT-POS-c20a539d-6
0.500
RUB-POS-1325a9ea-4
0.500
JOH-UNI-50ce7ec3-4
0.500
MAT-POS-f7918075-5
0.494
RUB-POS-1325a9ea-5
0.494
MAT-POS-bb423b95-6
0.494
JOH-UNI-6fede743-3
0.494
JIN-POS-6dc588a4-19
0.494
MAT-POS-90fd5f68-6
0.488
JOH-UNI-6fede743-5
0.488
PET-UNK-8df914d1-1
0.488
EDJ-MED-00c1612e-1
0.488
MIC-UNK-08cd9c58-1
0.487
MAT-POS-f7918075-3
0.487
MAT-POS-4211dce8-1
0.487
PET-UNK-8df914d1-3
0.486
MAT-POS-90fd5f68-23
0.483
MAT-POS-c20a539d-1
0.482
MAT-POS-90fd5f68-22
0.482
MAT-POS-90fd5f68-40
0.481
JIN-POS-6dc588a4-18
0.481
PET-UNK-7f7e354d-7
0.481
MIC-UNK-d935700b-1
0.481
MAT-POS-90fd5f68-5
0.477
MAT-POS-90fd5f68-24
0.477
PET-UNK-f4e47ebd-1
0.476
PET-UNK-f4e47ebd-2
0.476
MAT-POS-90fd5f68-41
0.476
PET-UNK-d899bab6-3
0.476
MAT-POS-90fd5f68-37
0.476
MAT-POS-90fd5f68-38
0.476
MAT-POS-c20a539d-2
0.476
MIC-UNK-50cce87d-3
0.475
RUB-POS-1325a9ea-2
0.475
RUB-POS-1325a9ea-18
0.475
MIC-UNK-50cce87d-1
0.475
RUB-POS-1325a9ea-3
0.475
JIN-POS-6dc588a4-21
0.475
EDG-MED-0da5ad92-17
0.474
TRY-UNI-714a760b-3
0.474
JOH-UNI-50ce7ec3-3
0.471
MAT-POS-29385cc1-2
0.471
PET-UNK-d899bab6-2
0.471
JOH-UNI-ee5ed7c8-3
0.470
MAT-POS-90fd5f68-1
0.470
MAT-POS-90fd5f68-19
0.470
JOH-UNI-3fc3434e-3
0.470
RUB-POS-1325a9ea-15
0.469
MIC-UNK-50cce87d-2
0.468
EDJ-MED-6ab52e52-1
0.468
MIC-UNK-51049f1a-6
0.468
VLA-UNK-4cf5aa07-2
0.468
JAN-GHE-5a013bed-10
0.466
MIC-UNK-9dc9fcd1-1
0.465
MAT-POS-29385cc1-1
0.465
PET-UNK-b38839dc-1
0.465
MAT-POS-90fd5f68-17
0.465
MAT-POS-c20a539d-4
0.464
MAT-POS-90fd5f68-4
0.464
MAT-POS-90fd5f68-7
0.464
PET-UNK-6314f867-2
0.464
MAT-POS-90fd5f68-25
0.464
PET-UNK-d899bab6-1
0.464
MAT-POS-c20a539d-5
0.464
JIN-POS-6dc588a4-22
0.463
JOH-UNI-6fede743-4
0.463
RUB-POS-1325a9ea-13
0.463
JIN-POS-6dc588a4-5
0.462
ABI-SAT-4d06482b-2
0.461
MAT-POS-90fd5f68-30
0.460
PET-UNK-7fb4f80a-2
0.460
EDG-MED-0da5ad92-16
0.459
EDG-MED-0da5ad92-21
0.459
SAM-UNK-2684b532-13
0.459
ALP-POS-95b75b4d-8
0.459
JOH-UNI-3fc3434e-1
0.459
MAT-POS-90fd5f68-29
0.459
PET-UNK-b38839dc-2
0.459
JOH-UNI-ee5ed7c8-1
0.459
MAT-POS-90fd5f68-20
0.459
MAT-POS-90fd5f68-11
0.459
JOH-UNI-99d163e5-5
0.458
MIC-UNK-668ac5de-1
0.458
JOH-UNI-99d163e5-6
0.457