Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CCC3(CCC3)N2)c1 |
MW: | 385.16 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 63.25 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-24
0.815
DAR-DIA-23e5a6a0-30
0.768
WIL-MOD-03b86a88-1
0.735
TRY-UNI-2eddb1ff-7
0.735
DAR-DIA-23e5a6a0-26
0.721
DAR-DIA-23e5a6a0-28
0.708
WIL-MOD-03b86a88-4
0.651
DAR-DIA-23e5a6a0-21
0.613
MAT-POS-c9973a83-1
0.610
DAR-DIA-23e5a6a0-23
0.587
RAL-THA-901e9a10-1
0.560
RAL-THA-6b94ceba-3
0.553
RAL-THA-6b94ceba-4
0.553
NAU-LAT-0543f7f2-5
0.549
DAR-DIA-23e5a6a0-29
0.548
RAL-THA-901e9a10-2
0.548
RAL-THA-6b94ceba-2
0.547
RAL-THA-901e9a10-5
0.538
RAL-THA-901e9a10-6
0.538
NAU-LAT-0543f7f2-1
0.538
RAL-THA-6b94ceba-1
0.537
MAT-POS-e501d84c-1
0.527
NAU-LAT-0543f7f2-2
0.526
DAR-DIA-23e5a6a0-25
0.521
WIL-MOD-03b86a88-2
0.516
RAL-THA-901e9a10-4
0.515
TRY-UNI-2eddb1ff-6
0.515
RAL-THA-901e9a10-3
0.515
CHO-MSK-6e55470f-5
0.515
CHO-MSK-6e55470f-4
0.514
WIL-MOD-03b86a88-3
0.511
MAT-POS-044491d2-2
0.510
DAR-DIA-23e5a6a0-27
0.510
CHO-MSK-6e55470f-9
0.510
CHO-MSK-6e55470f-8
0.510
MAT-POS-044491d2-1
0.505
DAR-DIA-23e5a6a0-11
0.505
RAL-THA-6b94ceba-6
0.500
CHO-MSK-6e55470f-7
0.500
CHO-MSK-6e55470f-20
0.500
CHO-MSK-6e55470f-2
0.500
ENA-ENA-cf881d10-1
0.500
CHO-MSK-6e55470f-1
0.495
MAT-POS-500ca5bf-1
0.495
MAT-POS-173a45da-2
0.495
CHO-MSK-6e55470f-10
0.495
RAL-THA-6b94ceba-11
0.495
RAL-THA-6b94ceba-14
0.495
CHO-MSK-6e55470f-3
0.490
CHO-MSK-6e55470f-13
0.490
BRU-LEF-c49414a7-1
0.489
RAL-THA-901e9a10-7
0.489
RAL-THA-6b94ceba-8
0.489
WIL-MOD-03b86a88-6
0.489
RAL-THA-6b94ceba-13
0.489
RAL-THA-6b94ceba-7
0.489
RAL-THA-6b94ceba-10
0.484
RAL-THA-6b94ceba-9
0.484
NAU-LAT-0543f7f2-6
0.484
RAL-THA-6b94ceba-15
0.484
RAL-THA-6b94ceba-5
0.484
CHO-MSK-6e55470f-18
0.481
CHO-MSK-6e55470f-6
0.481
RAL-THA-6b94ceba-12
0.478
RAL-THA-6b94ceba-16
0.478
WIL-MOD-03b86a88-5
0.478
CHO-MSK-6e55470f-14
0.476
MAT-POS-044491d2-6
0.475
MAT-POS-f42f3716-1
0.475
MAT-POS-f42f3716-6
0.474
MAT-POS-044491d2-3
0.474
NAU-LAT-0543f7f2-7
0.473
CHO-MSK-6e55470f-19
0.472
TRY-UNI-2eddb1ff-2
0.471
EDG-MED-0da5ad92-8
0.471
RAL-THA-901e9a10-8
0.469
MAT-POS-044491d2-4
0.469
CHO-MSK-6e55470f-23
0.468
CHO-MSK-6e55470f-22
0.467
MAT-POS-044491d2-5
0.466
MAT-POS-f42f3716-3
0.465
MAT-POS-f42f3716-5
0.465
TRY-UNI-714a760b-6
0.465
CHO-MSK-6e55470f-21
0.463
CHO-MSK-6e55470f-16
0.463
ALF-EVA-0b412456-4
0.462
ALF-EVA-0b412456-3
0.462
MAT-POS-f42f3716-7
0.455
CHO-MSK-6e55470f-15
0.455
CHO-MSK-6e55470f-11
0.455
EDJ-MED-7320d5d2-1
0.452
MAT-POS-3b92565d-3
0.452
ALP-POS-3b848b35-2
0.452
CHO-MSK-6e55470f-17
0.451
MAT-POS-044491d2-7
0.449
ALF-EVA-0b412456-1
0.448
PET-UNK-cf04cb02-1
0.447
MAT-POS-f42f3716-4
0.446
ALF-EVA-0b412456-2
0.444
ALF-EVA-0b412456-6
0.444