Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CC2CC3(CCC3)N2)c1 |
MW: | 369.16 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-29
0.918
DAR-DIA-23e5a6a0-25
0.844
DAR-DIA-23e5a6a0-21
0.780
DAR-DIA-23e5a6a0-27
0.714
DAR-DIA-23e5a6a0-24
0.644
DAR-DIA-23e5a6a0-30
0.602
DAR-DIA-23e5a6a0-22
0.587
MAT-POS-e501d84c-1
0.570
DAR-DIA-23e5a6a0-26
0.565
RAL-THA-6b94ceba-5
0.560
RAL-THA-6b94ceba-15
0.560
TRY-UNI-2eddb1ff-7
0.556
WIL-MOD-03b86a88-1
0.556
RAL-THA-6b94ceba-12
0.553
RAL-THA-6b94ceba-16
0.553
WIL-MOD-03b86a88-4
0.551
NAU-LAT-0543f7f2-7
0.547
RAL-THA-6b94ceba-8
0.547
MAT-POS-c9973a83-1
0.542
DAR-DIA-23e5a6a0-28
0.542
WIL-MOD-03b86a88-2
0.540
ENA-ENA-cf881d10-1
0.539
MAT-POS-044491d2-2
0.533
RAL-THA-6b94ceba-6
0.524
RAL-THA-6b94ceba-9
0.523
RAL-THA-6b94ceba-7
0.512
RAL-THA-6b94ceba-13
0.512
WIL-MOD-03b86a88-6
0.511
MAT-POS-044491d2-1
0.511
MAT-POS-044491d2-3
0.511
MAT-POS-f42f3716-1
0.511
NAU-LAT-0543f7f2-6
0.506
RAL-THA-6b94ceba-10
0.505
MAT-POS-044491d2-4
0.505
DAR-DIA-23e5a6a0-17
0.505
RAL-THA-6b94ceba-11
0.500
WIL-MOD-03b86a88-3
0.500
WIL-MOD-03b86a88-5
0.500
MAT-POS-f42f3716-5
0.500
RAL-THA-6b94ceba-14
0.500
MAT-POS-044491d2-6
0.495
TRY-UNI-2eddb1ff-2
0.494
EDG-MED-0da5ad92-8
0.494
CHO-MSK-6e55470f-5
0.490
RAL-THA-6b94ceba-2
0.490
NAU-LAT-0543f7f2-5
0.489
TRY-UNI-714a760b-6
0.488
MAT-POS-044491d2-5
0.485
RAL-THA-6b94ceba-4
0.479
RAL-THA-6b94ceba-1
0.479
RAL-THA-6b94ceba-3
0.479
NAU-LAT-0543f7f2-1
0.479
MAT-POS-f42f3716-6
0.479
DAR-DIA-0cde14eb-62
0.477
CHO-MSK-6e55470f-2
0.477
CHO-MSK-6e55470f-8
0.471
CHO-MSK-6e55470f-9
0.471
NAU-LAT-0543f7f2-2
0.469
MAT-POS-044491d2-7
0.468
RAL-THA-901e9a10-1
0.468
RAL-THA-901e9a10-6
0.463
DAR-DIA-23e5a6a0-20
0.462
CHO-MSK-6e55470f-1
0.457
MAT-POS-173a45da-2
0.457
MAT-POS-500ca5bf-1
0.457
DAR-DIA-0cde14eb-3
0.456
MAT-POS-f42f3716-3
0.455
BAR-COM-0f94fc3d-28
0.452
CHO-MSK-6e55470f-4
0.451
CHO-MSK-6e55470f-7
0.450
DAR-DIA-0cde14eb-64
0.449
DAR-DIA-0cde14eb-17
0.449
MAT-POS-f42f3716-4
0.449
ALP-POS-f13221e1-4
0.448
RAL-THA-901e9a10-5
0.448
CHO-MSK-6e55470f-20
0.448
MAT-POS-590ac91e-24
0.446
MAT-POS-f42f3716-9
0.446
MAT-POS-f42f3716-8
0.446
RAL-THA-901e9a10-3
0.444
DAR-DIA-0cde14eb-2
0.444
CHO-MSK-6e55470f-23
0.444
MAT-POS-f42f3716-7
0.444
CHO-MSK-6e55470f-18
0.444
MAT-POS-f42f3716-2
0.444
TRY-UNI-2eddb1ff-6
0.444
CHO-MSK-6e55470f-6
0.443
RAL-THA-901e9a10-2
0.443
RAL-THA-901e9a10-8
0.443
DAR-DIA-0cde14eb-78
0.438
CHO-MSK-6e55470f-13
0.437
EDJ-MED-e58735b6-2
0.435
CHO-MSK-6e55470f-15
0.434
CHO-MSK-6e55470f-19
0.434
MIH-UNI-6b9ca91a-1
0.434
DAR-DIA-0cde14eb-61
0.433
DAR-DIA-0cde14eb-1
0.433
DAR-DIA-0cde14eb-16
0.433
TRY-UNI-714a760b-5
0.432
JAN-GHE-83b26c96-11
0.432