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
JOH-UNI-ee5ed7c8-11
0.455
JOH-UNI-3fc3434e-11
0.455
EDG-MED-0da5ad92-13
0.455
ADA-UCB-6c2cb422-1
0.451
RUB-POS-1325a9ea-4
0.442
SAM-UNK-2684b532-11
0.439
EDJ-MED-49816e9b-2
0.436
PET-UNK-8df914d1-1
0.432
EDJ-MED-00c1612e-1
0.432
JIN-POS-6dc588a4-13
0.424
EDG-MED-0da5ad92-18
0.420
MAT-POS-f7918075-5
0.419
MAT-POS-bb423b95-8
0.419
EDJ-MED-c8e7a002-10
0.419
EDJ-MED-c8e7a002-17
0.419
JIN-POS-6dc588a4-21
0.419
EDG-MED-0da5ad92-16
0.418
VLA-UCB-00f2c2b3-7
0.417
EDG-MED-0da5ad92-17
0.415
MIC-UNK-08cd9c58-1
0.414
MAT-POS-f7918075-3
0.414
ALP-POS-95b75b4d-6
0.412
EDG-MED-0da5ad92-14
0.412
MAT-POS-bb423b95-1
0.412
PET-UNK-6314f867-2
0.411
MIC-UNK-66895286-1
0.410
JAN-GHE-5a013bed-8
0.410
EDG-MED-0da5ad92-2
0.410
TRY-UNI-714a760b-6
0.407
JAN-GHE-5a013bed-10
0.405
JAN-GHE-5a013bed-6
0.403
JAN-GHE-5a013bed-9
0.403
ABI-SAT-4d06482b-2
0.402
MAT-POS-bb423b95-2
0.402
RUB-POS-1325a9ea-5
0.402
EDJ-MED-c8e7a002-7
0.402
MIC-UNK-50cce87d-1
0.402
RUB-POS-1325a9ea-2
0.402
EDJ-MED-c8e7a002-8
0.402
EDG-MED-0da5ad92-21
0.400
ALP-POS-3b848b35-3
0.400
SAM-UNK-2684b532-13
0.400
ALP-POS-95b75b4d-8
0.400
AGN-NEW-c7b24fe3-5
0.398
AGN-NEW-c7b24fe3-4
0.398
JOH-UNI-50ce7ec3-4
0.396
MAT-POS-bb423b95-9
0.395
EDG-MED-0da5ad92-12
0.395
JIN-POS-6dc588a4-18
0.393
MAK-UNK-6ca90168-23
0.393
AGN-NEW-c7b24fe3-1
0.393
JIN-POS-6dc588a4-22
0.391
RUB-POS-1325a9ea-13
0.391
EDJ-MED-50fe53e8-1
0.391
MAT-POS-3cc264b0-1
0.391
PET-UNK-8df914d1-3
0.390
JIN-POS-6dc588a4-3
0.388
SAM-UNK-2684b532-12
0.388
MAT-POS-bb423b95-5
0.388
JIN-POS-6dc588a4-4
0.388
JIN-POS-6dc588a4-24
0.386
MIC-UNK-50cce87d-3
0.386
RUB-POS-1325a9ea-3
0.386
JIN-POS-6dc588a4-12
0.386
JOH-UNI-3fc3434e-3
0.385
JOH-UNI-ee5ed7c8-3
0.385
ALP-POS-95b75b4d-7
0.384
PET-UNK-8df914d1-4
0.383
JIN-POS-6dc588a4-23
0.382
RUB-POS-1325a9ea-15
0.382
TRY-UNI-714a760b-3
0.381
JOH-UNI-abfda500-4
0.381
ANN-UNI-98d2bf15-3
0.381
JOH-UNI-abfda500-5
0.381
MAT-POS-14ad9fe9-1
0.380
JAN-GHE-5a013bed-7
0.380
NAU-LAT-e1818702-10
0.380
JIN-POS-6dc588a4-2
0.379
EDJ-MED-c8e7a002-12
0.379
MIC-UNK-50cce87d-2
0.379
EDJ-MED-49816e9b-3
0.378
RUB-POS-1325a9ea-9
0.378
MIC-UNK-50cce87d-4
0.378
EDJ-MED-c8e7a002-4
0.378
VLA-UNK-4cf5aa07-2
0.376
MAK-UNK-ffc90da7-8
0.376
EDJ-MED-50fe53e8-2
0.375
EDJ-MED-50fe53e8-4
0.375
MAT-POS-f7918075-6
0.375
EDJ-MED-a364e151-3
0.375
JOH-UNI-50ce7ec3-3
0.375