Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C)CC2)c1 |
MW: | 363.23 |
Fraction sp3: | 0.48 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-18
0.782
DAR-DIA-0cde14eb-19
0.782
DAR-DIA-0cde14eb-17
0.782
DAR-DIA-0cde14eb-29
0.753
DAR-DIA-0cde14eb-20
0.619
DAR-DIA-0cde14eb-25
0.598
DAR-DIA-0cde14eb-1
0.537
DAR-DIA-0cde14eb-22
0.500
DAR-DIA-0cde14eb-24
0.495
DAR-DIA-0cde14eb-21
0.495
DAR-DIA-0cde14eb-23
0.495
DAR-DIA-0cde14eb-27
0.489
DAR-DIA-0cde14eb-28
0.489
DAR-DIA-0cde14eb-30
0.485
DAR-DIA-0cde14eb-26
0.484
DAR-DIA-0cde14eb-2
0.477
DAR-DIA-0cde14eb-3
0.471
DAR-DIA-0cde14eb-4
0.471
MAT-POS-044491d2-5
0.469
BEN-DND-93268d01-11
0.468
DAR-DIA-0cde14eb-61
0.465
DAR-DIA-0cde14eb-64
0.465
MAT-POS-044491d2-6
0.463
DAR-DIA-0cde14eb-62
0.460
DAR-DIA-0cde14eb-14
0.456
MAT-POS-c9973a83-1
0.453
EDJ-MED-e58735b6-2
0.451
MAT-POS-e501d84c-1
0.451
JAN-GHE-83b26c96-11
0.449
TRY-UNI-714a760b-5
0.449
ALP-POS-95b75b4d-4
0.448
DAR-DIA-23e5a6a0-24
0.443
DAR-DIA-0cde14eb-63
0.443
RAL-THA-6b94ceba-13
0.443
TRY-UNI-2eddb1ff-2
0.439
EDG-MED-0da5ad92-8
0.439
MAT-POS-f42f3716-5
0.439
VLA-UCB-00f2c2b3-1
0.438
MAT-POS-590ac91e-9
0.438
DAR-DIA-23e5a6a0-30
0.438
RAL-THA-6b94ceba-6
0.437
EDJ-MED-e58735b6-1
0.435
BAR-COM-0f94fc3d-28
0.435
RAL-THA-6b94ceba-11
0.435
GAB-REV-70cc3ca5-20
0.434
TRY-UNI-714a760b-6
0.434
JAN-GHE-83b26c96-13
0.434
ALP-POS-95b75b4d-2
0.434
DAR-DIA-23e5a6a0-23
0.433
MIH-UNI-6b9ca91a-1
0.432
ANN-UNI-98d2bf15-2
0.430
DAR-DIA-23e5a6a0-22
0.430
RAL-THA-901e9a10-4
0.429
RAL-THA-6b94ceba-8
0.429
DAR-DIA-0cde14eb-74
0.429
JAN-GHE-83b26c96-12
0.429
ALP-POS-95b75b4d-1
0.429
DAR-DIA-23e5a6a0-29
0.427
RAL-THA-6b94ceba-7
0.427
VLA-UCB-00f2c2b3-2
0.427
NAU-LAT-0543f7f2-5
0.426
TRY-UNI-714a760b-20
0.425
MAT-POS-590ac91e-6
0.425
WIL-MOD-03b86a88-2
0.424
PET-SGC-6016d8e6-1
0.423
MAT-POS-044491d2-2
0.423
RAL-THA-6b94ceba-15
0.422
RAL-THA-6b94ceba-5
0.422
MAT-POS-590ac91e-15
0.422
RAL-THA-901e9a10-1
0.421
WIL-MOD-03b86a88-4
0.421
EDJ-MED-e58735b6-3
0.420
DAR-DIA-0cde14eb-78
0.420
SAD-SAT-7d5528d9-1
0.419
WIL-MOD-03b86a88-3
0.418
WIL-MOD-03b86a88-5
0.418
RAL-THA-6b94ceba-12
0.418
RAL-THA-6b94ceba-14
0.418
RAL-THA-6b94ceba-16
0.418
MAT-POS-f42f3716-6
0.417
MAT-POS-044491d2-3
0.417
RAL-THA-901e9a10-5
0.417
RAL-THA-901e9a10-6
0.417
MAT-POS-044491d2-1
0.417
DAR-DIA-23e5a6a0-21
0.416
ANN-UNI-98d2bf15-5
0.416
TRY-UNI-2eddb1ff-6
0.414
RAL-THA-901e9a10-3
0.414
JAN-GHE-83b26c96-14
0.414
ALP-POS-95b75b4d-3
0.414
TRY-UNI-2eddb1ff-1
0.414
DAR-DIA-0cde14eb-76
0.414
WIL-MOD-03b86a88-6
0.413
NAU-LAT-0543f7f2-7
0.413
RAL-THA-901e9a10-2
0.412
TRY-UNI-2eddb1ff-7
0.412
WIL-MOD-03b86a88-1
0.412
DAR-DIA-23e5a6a0-26
0.410
DAR-DIA-23e5a6a0-27
0.410
BEN-DND-93268d01-10
0.410