Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC3(CC3)N2)c1 |
MW: | 357.12 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 63.25 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-24
0.919
DAR-DIA-23e5a6a0-26
0.857
TRY-UNI-2eddb1ff-7
0.782
WIL-MOD-03b86a88-1
0.782
DAR-DIA-23e5a6a0-22
0.768
DAR-DIA-23e5a6a0-28
0.750
WIL-MOD-03b86a88-4
0.691
MAT-POS-c9973a83-1
0.649
DAR-DIA-23e5a6a0-29
0.635
DAR-DIA-23e5a6a0-23
0.602
NAU-LAT-0543f7f2-5
0.581
MAT-POS-e501d84c-1
0.576
RAL-THA-901e9a10-1
0.575
RAL-THA-901e9a10-5
0.568
RAL-THA-901e9a10-6
0.568
NAU-LAT-0543f7f2-1
0.568
RAL-THA-6b94ceba-4
0.567
RAL-THA-6b94ceba-1
0.567
RAL-THA-6b94ceba-3
0.567
DAR-DIA-23e5a6a0-25
0.567
RAL-THA-901e9a10-2
0.562
RAL-THA-6b94ceba-2
0.560
NAU-LAT-0543f7f2-2
0.556
CHO-MSK-6e55470f-8
0.552
CHO-MSK-6e55470f-9
0.552
WIL-MOD-03b86a88-2
0.547
RAL-THA-901e9a10-3
0.543
TRY-UNI-2eddb1ff-6
0.543
RAL-THA-901e9a10-4
0.543
CHO-MSK-6e55470f-5
0.543
DAR-DIA-23e5a6a0-21
0.543
RAL-THA-6b94ceba-14
0.541
DAR-DIA-23e5a6a0-27
0.538
RAL-THA-6b94ceba-7
0.536
RAL-THA-6b94ceba-6
0.530
RAL-THA-6b94ceba-9
0.529
CHO-MSK-6e55470f-20
0.525
RAL-THA-6b94ceba-16
0.523
WIL-MOD-03b86a88-3
0.523
RAL-THA-6b94ceba-11
0.523
MAT-POS-044491d2-2
0.522
MAT-POS-173a45da-2
0.520
CHO-MSK-6e55470f-1
0.520
MAT-POS-500ca5bf-1
0.520
RAL-THA-6b94ceba-13
0.518
RAL-THA-6b94ceba-8
0.517
WIL-MOD-03b86a88-6
0.517
BRU-LEF-c49414a7-1
0.517
RAL-THA-901e9a10-7
0.517
MAT-POS-f42f3716-1
0.516
CHO-MSK-6e55470f-13
0.515
RAL-THA-6b94ceba-15
0.512
RAL-THA-6b94ceba-5
0.512
NAU-LAT-0543f7f2-6
0.511
RAL-THA-6b94ceba-10
0.511
ENA-ENA-cf881d10-1
0.511
CHO-MSK-6e55470f-19
0.510
CHO-MSK-6e55470f-2
0.510
CHO-MSK-6e55470f-4
0.509
RAL-THA-6b94ceba-12
0.506
WIL-MOD-03b86a88-5
0.506
CHO-MSK-6e55470f-10
0.505
CHO-MSK-6e55470f-22
0.505
CHO-MSK-6e55470f-6
0.505
CHO-MSK-6e55470f-18
0.505
MAT-POS-044491d2-1
0.500
MAT-POS-044491d2-3
0.500
EDG-MED-0da5ad92-8
0.500
TRY-UNI-2eddb1ff-2
0.500
MAT-POS-044491d2-6
0.500
CHO-MSK-6e55470f-3
0.500
CHO-MSK-6e55470f-16
0.500
CHO-MSK-6e55470f-14
0.500
NAU-LAT-0543f7f2-7
0.500
CHO-MSK-6e55470f-7
0.495
RAL-THA-901e9a10-8
0.495
MAT-POS-044491d2-4
0.495
TRY-UNI-714a760b-6
0.494
CHO-MSK-6e55470f-23
0.490
CHO-MSK-6e55470f-11
0.490
MAT-POS-f42f3716-5
0.490
CHO-MSK-6e55470f-15
0.487
DAR-DIA-23e5a6a0-15
0.485
CHO-MSK-6e55470f-21
0.485
ALF-EVA-0b412456-4
0.485
ALF-EVA-0b412456-3
0.485
MAT-POS-f42f3716-6
0.484
ALF-EVA-0b412456-6
0.480
MAT-POS-f42f3716-2
0.479
MAT-POS-3b92565d-3
0.475
EDJ-MED-7320d5d2-1
0.475
MAT-POS-044491d2-5
0.475
ALP-POS-3b848b35-2
0.475
MAT-POS-f42f3716-3
0.474
MAT-POS-044491d2-7
0.473
CHO-MSK-6e55470f-12
0.472
ALF-EVA-0b412456-1
0.470
ALF-EVA-0b412456-2
0.466
MAT-POS-f42f3716-9
0.465
DAR-DIA-0cde14eb-3
0.461