Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1 |
MW: | 284.13 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-1
0.746
DAR-DIA-0cde14eb-3
0.725
DAR-DIA-0cde14eb-4
0.725
DAR-DIA-0cde14eb-14
0.694
EDJ-MED-e58735b6-2
0.642
ALP-POS-95b75b4d-2
0.642
TRY-UNI-714a760b-6
0.642
ALP-POS-95b75b4d-1
0.632
JAN-GHE-83b26c96-13
0.618
JAN-GHE-83b26c96-12
0.609
JAN-GHE-83b26c96-14
0.606
DAR-DIA-0cde14eb-76
0.606
ALP-POS-95b75b4d-3
0.606
ALP-POS-95b75b4d-4
0.603
TRY-UNI-714a760b-20
0.597
EDJ-MED-e58735b6-1
0.592
DAR-DIA-0cde14eb-78
0.589
DAR-DIA-0cde14eb-79
0.589
DAR-DIA-0cde14eb-77
0.587
ANN-UNI-98d2bf15-2
0.583
ANN-UNI-98d2bf15-5
0.581
EDJ-MED-e58735b6-3
0.568
DAR-DIA-0cde14eb-33
0.562
DAR-DIA-0cde14eb-7
0.560
DAR-DIA-0cde14eb-48
0.557
TRY-UNI-714a760b-5
0.552
DAR-DIA-0cde14eb-18
0.548
SAD-SAT-7d5528d9-1
0.537
EDJ-MED-e58735b6-4
0.532
DAR-DIA-0cde14eb-12
0.532
RAL-THA-901e9a10-7
0.531
BRU-LEF-c49414a7-1
0.531
TRY-UNI-2eddb1ff-2
0.514
EDG-MED-0da5ad92-8
0.514
DAR-DIA-0cde14eb-63
0.513
JAN-GHE-83b26c96-11
0.507
MIH-UNI-6b9ca91a-1
0.507
ALP-POS-f13221e1-4
0.500
BEN-DND-93268d01-6
0.494
VLA-UCB-00f2c2b3-1
0.487
MAT-POS-044491d2-2
0.483
RAL-THA-6b94ceba-16
0.481
DAR-DIA-0cde14eb-61
0.481
DAR-DIA-0cde14eb-64
0.481
TRY-UNI-2eddb1ff-1
0.481
MAT-POS-590ac91e-6
0.479
ALE-HEI-f28a35b5-12
0.478
MAT-POS-044491d2-6
0.477
MAT-POS-f42f3716-1
0.477
DAR-DIA-0cde14eb-16
0.477
VLA-UCB-00f2c2b3-2
0.475
DAR-DIA-0cde14eb-62
0.475
RAL-THA-6b94ceba-6
0.468
MAT-POS-c9973a83-1
0.468
GAB-REV-70cc3ca5-20
0.467
MAT-POS-f42f3716-5
0.467
BEN-DND-93268d01-5
0.467
MAT-POS-e501d84c-1
0.464
WIL-MOD-03b86a88-3
0.463
WAR-XCH-e55cba98-11
0.463
GAB-REV-70cc3ca5-18
0.463
DAR-DIA-0cde14eb-17
0.461
DAR-DIA-0cde14eb-19
0.461
MAT-POS-f42f3716-6
0.460
EDJ-MED-c9f55a56-1
0.459
MAT-POS-590ac91e-24
0.459
DAR-DIA-0cde14eb-74
0.458
RAL-THA-6b94ceba-7
0.457
RAL-THA-6b94ceba-13
0.457
ASH-SAT-43770c7d-9
0.456
EDG-MED-0da5ad92-11
0.456
JAN-GHE-83b26c96-20
0.456
DAR-DIA-23e5a6a0-29
0.455
MAK-UNK-6ca90168-26
0.455
ANN-UNI-98d2bf15-1
0.453
JOH-UNI-abfda500-6
0.453
MAT-POS-590ac91e-17
0.453
MAT-POS-590ac91e-15
0.453
WIL-MOD-03b86a88-2
0.452
RAL-THA-6b94ceba-9
0.452
MAT-POS-590ac91e-9
0.452
RAL-THA-6b94ceba-15
0.451
RAL-THA-6b94ceba-5
0.451
DAR-DIA-23e5a6a0-27
0.451
DAR-DIA-23e5a6a0-30
0.449
BEN-DND-93268d01-7
0.449
EDG-MED-0da5ad92-6
0.447
RAL-THA-6b94ceba-11
0.447
ALE-HEI-f28a35b5-3
0.446
WIL-MOD-03b86a88-5
0.446
RAL-THA-6b94ceba-12
0.446
RAL-THA-6b94ceba-14
0.446
DAR-DIA-0cde14eb-29
0.446
DAR-DIA-23e5a6a0-23
0.444
MAT-POS-044491d2-3
0.443
BEN-DND-93268d01-4
0.442
NAU-LAT-0543f7f2-7
0.440
RAL-THA-6b94ceba-8
0.440
WIL-MOD-03b86a88-6
0.440
MAT-POS-590ac91e-10
0.440