Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cnn(C2(F)CC2)c1 |
MW: | 275.12 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.84 |
cLogP: | 2.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-65
0.712
DAR-DIA-0cde14eb-68
0.712
DAR-DIA-0cde14eb-69
0.706
DAR-DIA-0cde14eb-66
0.701
DAR-DIA-0cde14eb-72
0.581
DAR-DIA-0cde14eb-63
0.547
DAR-DIA-0cde14eb-7
0.513
TRY-UNI-714a760b-4
0.507
ALE-HEI-f28a35b5-1
0.507
DAR-DIA-0cde14eb-8
0.494
DAR-DIA-0cde14eb-5
0.481
DAR-DIA-0cde14eb-22
0.477
DAR-DIA-0cde14eb-6
0.474
JAG-UCB-cedd89ab-8
0.466
TRY-UNI-714a760b-12
0.466
DAR-DIA-0cde14eb-9
0.463
DAR-DIA-0cde14eb-75
0.458
DAR-DIA-0cde14eb-20
0.453
DAR-DIA-0cde14eb-70
0.450
CHR-SOS-363cfb78-2
0.447
DAR-DIA-0cde14eb-73
0.444
ALE-HEI-f28a35b5-2
0.444
TRY-UNI-714a760b-24
0.442
DAR-DIA-0cde14eb-71
0.439
DAR-DIA-0cde14eb-23
0.438
DAR-DIA-0cde14eb-21
0.438
DAR-DIA-0cde14eb-74
0.434
ALE-HEI-f28a35b5-13
0.429
TRY-UNI-714a760b-11
0.425
ALE-HEI-f28a35b5-7
0.425
DAR-DIA-0cde14eb-24
0.424
NAU-LAT-3f5f3993-2
0.421
DAR-DIA-0cde14eb-61
0.420
DAR-DIA-0cde14eb-64
0.420
MAK-UNK-129dcd6f-15
0.420
AAR-POS-d2a4d1df-3
0.419
MAK-UNK-6435e6c2-8
0.419
DAR-DIA-0cde14eb-62
0.415
MAT-POS-590ac91e-6
0.411
MAK-UNK-6ca90168-27
0.409
ALE-HEI-f28a35b5-12
0.408
MAT-POS-590ac91e-15
0.408
ALE-HEI-f28a35b5-11
0.408
CHR-SOS-1f323c23-7
0.407
MAR-TRE-67513f76-79
0.407
MAT-POS-590ac91e-9
0.405
MAT-POS-590ac91e-16
0.403
MAT-POS-5d20d11c-1
0.403
CHR-SOS-1f323c23-4
0.402
CHR-SOS-6c45c019-12
0.402
MAT-POS-590ac91e-12
0.400
CHR-SOS-6c45c019-16
0.400
CHR-SOS-1f323c23-10
0.400
MAK-UNK-129dcd6f-4
0.400
TRY-UNI-1fd04853-2
0.398
CHR-SOS-6c45c019-9
0.393
CHR-SOS-1f323c23-1
0.393
CHR-SOS-6c45c019-15
0.391
TRY-UNI-bbd40bb4-6
0.391
BEN-DND-6de5dfa0-10
0.390
EDJ-MED-3c65e9ce-1
0.390
BEN-DND-93268d01-8
0.390
BEN-DND-22e6b372-3
0.388
ERI-UCB-5b47150d-1
0.386
MAT-POS-590ac91e-2
0.386
ASH-SAT-43770c7d-9
0.386
MAT-POS-590ac91e-1
0.386
SIM-DEM-f31d0e65-1
0.386
WAR-XCH-e55cba98-9
0.386
TRY-UNI-bbd40bb4-5
0.385
CHR-SOS-6c45c019-6
0.384
MAK-UNK-6ca90168-26
0.382
CHR-SOS-6c45c019-14
0.382
MIH-UNI-6b9ca91a-1
0.382
MAT-POS-590ac91e-22
0.382
BEN-DND-93268d01-11
0.382
BEN-DND-93268d01-9
0.382
BEN-DND-09b88bf4-5
0.382
CHR-SOS-6c45c019-11
0.381
DAR-DIA-0cde14eb-2
0.381
BEN-DND-22e6b372-4
0.380
CHR-SOS-1f323c23-6
0.379
SAM-UNK-2684b532-8
0.379
ALE-HEI-f28a35b5-17
0.378
SCO-VAN-260d9628-1
0.378
BEN-DND-93268d01-10
0.377
MAT-POS-590ac91e-26
0.377
MAT-POS-590ac91e-24
0.377
CHR-SOS-6c45c019-3
0.375
BEN-DND-6de5dfa0-3
0.375
NAU-LAT-3f5f3993-5
0.375
BEN-DND-09b88bf4-3
0.375
BEN-DND-6de5dfa0-5
0.375
CHR-SOS-1f323c23-9
0.375
SIM-DEM-2d7ee9fd-1
0.375
ERI-UCB-5b47150d-4
0.375
EDG-MED-0da5ad92-9
0.375
CHR-SOS-6c45c019-13
0.374
PET-SGC-6e7c5dc0-1
0.373
CHR-SOS-6c45c019-8
0.372