Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1 |
MW: | 367.21 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-16
0.782
DAR-DIA-0cde14eb-17
0.753
DAR-DIA-0cde14eb-19
0.753
DAR-DIA-0cde14eb-29
0.726
DAR-DIA-0cde14eb-22
0.640
DAR-DIA-0cde14eb-27
0.607
DAR-DIA-0cde14eb-2
0.548
DAR-DIA-0cde14eb-20
0.527
DAR-DIA-0cde14eb-25
0.511
DAR-DIA-0cde14eb-24
0.495
DAR-DIA-0cde14eb-21
0.495
DAR-DIA-0cde14eb-23
0.495
DAR-DIA-0cde14eb-28
0.490
DAR-DIA-0cde14eb-26
0.485
DAR-DIA-0cde14eb-30
0.470
MAT-POS-044491d2-5
0.470
DAR-DIA-0cde14eb-1
0.466
MAT-POS-044491d2-6
0.464
DAR-DIA-0cde14eb-63
0.461
DAR-DIA-0cde14eb-3
0.456
DAR-DIA-0cde14eb-4
0.456
MAT-POS-044491d2-2
0.454
MAT-POS-e501d84c-1
0.452
BEN-DND-93268d01-11
0.451
MAT-POS-f42f3716-6
0.448
DAR-DIA-0cde14eb-62
0.444
DAR-DIA-0cde14eb-14
0.441
EDG-MED-0da5ad92-8
0.440
TRY-UNI-2eddb1ff-2
0.440
RAL-THA-6b94ceba-6
0.438
MAT-POS-c9973a83-1
0.438
BEN-DND-22e6b372-3
0.437
TRY-UNI-714a760b-6
0.435
EDJ-MED-e58735b6-2
0.435
ALP-POS-95b75b4d-2
0.435
RAL-THA-6b94ceba-16
0.435
MAT-POS-f42f3716-1
0.434
MIH-UNI-6b9ca91a-1
0.434
DAR-DIA-0cde14eb-61
0.433
DAR-DIA-0cde14eb-64
0.433
ALP-POS-95b75b4d-4
0.433
MAT-POS-044491d2-3
0.433
JAN-GHE-83b26c96-11
0.432
TRY-UNI-714a760b-5
0.432
TRY-UNI-2eddb1ff-1
0.432
ALP-POS-95b75b4d-1
0.430
BEN-DND-22e6b372-4
0.430
DAR-DIA-23e5a6a0-24
0.430
RAL-THA-6b94ceba-7
0.429
RAL-THA-6b94ceba-13
0.429
MAT-POS-f42f3716-5
0.426
DAR-DIA-23e5a6a0-30
0.424
MAT-POS-590ac91e-9
0.422
RAL-THA-6b94ceba-11
0.421
BAR-COM-0f94fc3d-28
0.421
EDJ-MED-e58735b6-1
0.420
DAR-DIA-23e5a6a0-23
0.420
WIL-MOD-03b86a88-5
0.419
JAN-GHE-83b26c96-13
0.419
GAB-REV-70cc3ca5-20
0.419
MAT-POS-044491d2-1
0.418
RAL-THA-901e9a10-5
0.418
ANN-UNI-98d2bf15-5
0.418
DAR-DIA-0cde14eb-7
0.418
DAR-DIA-23e5a6a0-22
0.417
RAL-THA-901e9a10-4
0.416
JAN-GHE-83b26c96-14
0.416
ALP-POS-95b75b4d-3
0.416
DAR-DIA-0cde14eb-76
0.416
RAL-THA-6b94ceba-8
0.415
DAR-DIA-0cde14eb-74
0.415
WIL-MOD-03b86a88-6
0.415
DAR-DIA-23e5a6a0-29
0.414
RAL-THA-901e9a10-2
0.414
JAN-GHE-83b26c96-12
0.414
VLA-UCB-00f2c2b3-2
0.413
MAT-POS-044491d2-4
0.412
NAU-LAT-0543f7f2-5
0.412
TRY-UNI-714a760b-20
0.411
RAL-THA-6b94ceba-9
0.411
NAU-LAT-0543f7f2-6
0.411
WIL-MOD-03b86a88-2
0.411
PET-SGC-6016d8e6-1
0.410
MAT-POS-590ac91e-6
0.410
VLA-UCB-00f2c2b3-1
0.409
DAR-DIA-0cde14eb-77
0.409
RAL-THA-6b94ceba-5
0.409
RAL-THA-6b94ceba-15
0.409
RAL-THA-901e9a10-1
0.408
WIL-MOD-03b86a88-4
0.408
ALE-HEI-f28a35b5-12
0.407
EDJ-MED-e58735b6-3
0.407
DAR-DIA-0cde14eb-78
0.407
DAR-DIA-0cde14eb-79
0.407
SAD-SAT-7d5528d9-1
0.406
MAT-POS-f42f3716-4
0.406
RAL-THA-6b94ceba-12
0.404
RAL-THA-6b94ceba-14
0.404
WIL-MOD-03b86a88-3
0.404
RAL-THA-901e9a10-6
0.404