Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c(C(F)F)ncc2ccc(F)cc12 |
| MW: | 364.06 |
| Fraction sp3: | 0.11 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 5.15 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
JOH-UNI-6fede743-2
0.685
RUB-POS-1325a9ea-18
0.506
JOH-UNI-6fede743-1
0.488
JIN-POS-6dc588a4-11
0.482
JOH-UNI-6fede743-4
0.476
EDJ-MED-c8e7a002-9
0.470
RUB-POS-1325a9ea-17
0.463
JOH-UNI-ee5ed7c8-8
0.459
JOH-UNI-3fc3434e-8
0.459
EDG-MED-0da5ad92-13
0.455
JOH-UNI-3fc3434e-11
0.455
JOH-UNI-ee5ed7c8-11
0.455
ADA-UCB-6c2cb422-1
0.451
MAT-POS-c0609ef7-1
0.443
RUB-POS-1325a9ea-4
0.442
MAT-POS-90fd5f68-24
0.440
SAM-UNK-2684b532-11
0.439
MAT-POS-90fd5f68-37
0.437
EDJ-MED-49816e9b-2
0.436
EDJ-MED-c5ca5386-1
0.435
MAT-POS-90fd5f68-6
0.433
PET-UNK-8df914d1-1
0.432
EDJ-MED-00c1612e-1
0.432
MIC-UNK-7574fcc6-1
0.430
EDJ-MED-6e43a462-8
0.430
MAT-POS-90fd5f68-23
0.430
MAT-POS-90fd5f68-40
0.425
JIN-POS-6dc588a4-13
0.424
MIC-UNK-51049f1a-5
0.420
MAT-POS-29385cc1-4
0.420
EDG-MED-0da5ad92-18
0.420
MAT-POS-f7918075-5
0.419
JIN-POS-6dc588a4-21
0.419
MAT-POS-bb423b95-8
0.419
EDJ-MED-c8e7a002-10
0.419
EDJ-MED-c8e7a002-17
0.419
EDG-MED-0da5ad92-16
0.418
VLA-UCB-00f2c2b3-7
0.417
MAT-POS-90fd5f68-19
0.416
EDG-MED-0da5ad92-17
0.415
MIC-UNK-08cd9c58-1
0.414
MAT-POS-f7918075-3
0.414
EDG-MED-0da5ad92-14
0.412
ALP-POS-95b75b4d-6
0.412
MAT-POS-bb423b95-1
0.412
PET-UNK-d899bab6-1
0.411
PET-UNK-6314f867-2
0.411
MAT-POS-90fd5f68-25
0.411
MAT-POS-90fd5f68-22
0.411
MAT-POS-c20a539d-5
0.411
JAN-GHE-5a013bed-8
0.410
EDG-MED-0da5ad92-2
0.410
MIC-UNK-66895286-1
0.410
PET-UNK-7fb4f80a-2
0.409
TRY-UNI-714a760b-6
0.407
EDJ-MED-6e43a462-7
0.407
MAT-POS-90fd5f68-20
0.407
PET-UNK-f4e47ebd-1
0.407
PET-UNK-f4e47ebd-2
0.407
PET-UNK-d899bab6-3
0.407
MAT-POS-90fd5f68-29
0.407
JAN-GHE-5a013bed-10
0.405
MAT-POS-90fd5f68-33
0.404
JAN-GHE-5a013bed-6
0.403
JAN-GHE-5a013bed-9
0.403
ABI-SAT-4d06482b-2
0.402
MIC-UNK-50cce87d-1
0.402
RUB-POS-1325a9ea-5
0.402
PET-UNK-b1ef24dc-3
0.402
MAT-POS-bb423b95-2
0.402
RUB-POS-1325a9ea-2
0.402
EDJ-MED-c8e7a002-7
0.402
EDJ-MED-c8e7a002-8
0.402
PET-UNK-d899bab6-2
0.402
MAT-POS-90fd5f68-39
0.402
MAT-POS-29385cc1-2
0.402
MAT-POS-90fd5f68-31
0.402
PET-UNK-158bee2a-3
0.400
ALP-POS-3b848b35-3
0.400
ALP-POS-95b75b4d-8
0.400
EDG-MED-0da5ad92-21
0.400
SAM-UNK-2684b532-13
0.400
MAT-POS-90fd5f68-27
0.398
MAT-POS-90fd5f68-21
0.398
PET-UNK-b38839dc-1
0.398
MAT-POS-29385cc1-1
0.398
MAT-POS-90fd5f68-35
0.398
AGN-NEW-c7b24fe3-5
0.398
AGN-NEW-c7b24fe3-4
0.398
PET-UNK-7fb4f80a-3
0.396
MAT-POS-90fd5f68-5
0.396
MAT-POS-c20a539d-1
0.396
MAT-POS-90fd5f68-4
0.396
JOH-UNI-50ce7ec3-4
0.396
MAT-POS-bb423b95-9
0.395
EDG-MED-0da5ad92-12
0.395
MAT-POS-90fd5f68-30
0.394
JIN-POS-6dc588a4-18
0.393
MAT-POS-c20a539d-6
0.393
MAT-POS-29385cc1-3
0.393