Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccc(C(F)F)c12 |
MW: | 346.07 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-51049f1a-6
0.676
MIC-UNK-50cce87d-1
0.658
RUB-POS-1325a9ea-2
0.658
EDJ-MED-6ab52e52-1
0.653
MIC-UNK-50cce87d-2
0.653
MIC-UNK-50cce87d-3
0.635
RUB-POS-1325a9ea-3
0.635
MIC-UNK-668ac5de-1
0.632
JOH-UNI-3fc3434e-1
0.628
JOH-UNI-ee5ed7c8-1
0.628
JOH-UNI-3fc3434e-3
0.623
JOH-UNI-ee5ed7c8-3
0.623
RUB-POS-1325a9ea-9
0.618
MIC-UNK-50cce87d-4
0.618
EDJ-MED-c5ca5386-1
0.613
PET-UNK-6314f867-3
0.610
MIC-UNK-7574fcc6-1
0.584
MAT-POS-8feb6e35-1
0.575
MAT-POS-29385cc1-4
0.570
SAM-UNK-2684b532-11
0.560
JOH-UNI-ee5ed7c8-2
0.540
JOH-UNI-3fc3434e-2
0.540
EDJ-MED-c5ca5386-2
0.537
MAT-POS-c0609ef7-1
0.537
MAT-POS-8feb6e35-2
0.524
PET-UNK-e274cad4-6
0.519
PET-UNK-b1ef24dc-1
0.519
ADA-UCB-6c2cb422-1
0.513
MAT-POS-bb423b95-8
0.512
JOH-UNI-6fede743-1
0.512
JIN-POS-6dc588a4-14
0.512
MIC-UNK-f2576da4-1
0.512
JAN-GHE-5a013bed-10
0.507
PET-UNK-8df914d1-3
0.507
MAT-POS-bb423b95-1
0.506
JIN-POS-6dc588a4-11
0.506
MAT-POS-29385cc1-3
0.500
PET-UNK-b1ef24dc-2
0.500
RUB-POS-1325a9ea-12
0.500
MAT-POS-c20a539d-6
0.500
MAT-POS-f7918075-5
0.494
MAT-POS-bb423b95-2
0.494
TRY-UNI-714a760b-3
0.494
ANN-UNI-98d2bf15-3
0.494
JOH-UNI-abfda500-5
0.494
MAT-POS-29385cc1-2
0.488
PET-UNK-d899bab6-2
0.488
MAT-POS-90fd5f68-22
0.482
MAT-POS-c20a539d-4
0.482
EDJ-MED-239d8ca5-1
0.482
MAT-POS-90fd5f68-7
0.482
MAT-POS-90fd5f68-25
0.482
PET-UNK-d899bab6-1
0.482
RUB-POS-1325a9ea-4
0.482
PET-UNK-e274cad4-1
0.482
RUB-POS-1325a9ea-14
0.482
MAT-POS-90fd5f68-40
0.482
MAT-POS-bb423b95-5
0.481
JIN-POS-6dc588a4-4
0.481
SAM-UNK-2684b532-12
0.481
RUB-POS-1325a9ea-19
0.481
SAM-UNK-2684b532-13
0.480
ALP-POS-95b75b4d-8
0.480
MAT-POS-90fd5f68-41
0.477
MAT-POS-90fd5f68-29
0.477
MAT-POS-90fd5f68-38
0.476
MAT-POS-90fd5f68-37
0.476
MAT-POS-c20a539d-2
0.476
ALP-POS-95b75b4d-6
0.474
MAT-POS-90fd5f68-36
0.472
PET-UNK-c6bcc80b-7
0.472
MAT-POS-90fd5f68-6
0.471
MAT-POS-90fd5f68-1
0.471
MAT-POS-90fd5f68-19
0.471
EDJ-MED-00c1612e-1
0.471
PET-UNK-8df914d1-1
0.471
TRY-UNI-714a760b-6
0.468
MAT-POS-90fd5f68-28
0.467
MAT-POS-90fd5f68-21
0.466
EDJ-MED-239d8ca5-2
0.466
MAT-POS-90fd5f68-35
0.466
MAT-POS-29385cc1-1
0.466
PET-UNK-b38839dc-1
0.466
MAT-POS-90fd5f68-3
0.466
MAT-POS-90fd5f68-9
0.466
MAT-POS-90fd5f68-27
0.466
PET-UNK-6314f867-2
0.465
MAT-POS-90fd5f68-4
0.465
MAT-POS-c20a539d-5
0.465
MAT-POS-c20a539d-1
0.465
JIN-POS-6dc588a4-13
0.463
PET-UNK-7fb4f80a-3
0.462
ABI-SAT-4d06482b-2
0.462
MAT-POS-90fd5f68-30
0.461
MAT-POS-90fd5f68-24
0.461
PET-UNK-f4e47ebd-1
0.460
MAT-POS-90fd5f68-11
0.460
PET-UNK-f4e47ebd-2
0.460
PET-UNK-d899bab6-3
0.460
PET-UNK-b38839dc-2
0.460