Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ccn[nH]2)c1 |
MW: | 356.1 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.9 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-6b94ceba-3
0.732
RAL-THA-6b94ceba-2
0.702
RAL-THA-6b94ceba-1
0.671
MAT-POS-c9973a83-1
0.662
NAU-LAT-0543f7f2-5
0.651
CHO-MSK-6e55470f-5
0.644
NAU-LAT-0543f7f2-1
0.635
CHO-MSK-6e55470f-6
0.628
NAU-LAT-0543f7f2-2
0.621
MAT-POS-173a45da-2
0.611
CHO-MSK-6e55470f-13
0.609
CHO-MSK-6e55470f-8
0.596
CHO-MSK-6e55470f-9
0.596
CHO-MSK-6e55470f-14
0.589
WIL-MOD-03b86a88-4
0.586
CHO-MSK-6e55470f-19
0.583
CHO-MSK-6e55470f-20
0.583
CHO-MSK-6e55470f-22
0.577
TRY-UNI-2eddb1ff-7
0.573
WIL-MOD-03b86a88-1
0.573
CHO-MSK-6e55470f-16
0.571
CHO-MSK-6e55470f-21
0.571
DAR-DIA-23e5a6a0-30
0.567
CHO-MSK-6e55470f-10
0.562
CHO-MSK-6e55470f-11
0.560
CHO-MSK-6e55470f-3
0.557
DAR-DIA-23e5a6a0-24
0.554
CHO-MSK-6e55470f-12
0.553
DAR-DIA-23e5a6a0-22
0.553
CHO-MSK-6e55470f-2
0.549
CHO-MSK-6e55470f-7
0.549
DAR-DIA-23e5a6a0-26
0.548
CHO-MSK-6e55470f-1
0.545
MAT-POS-500ca5bf-1
0.545
CHO-MSK-6e55470f-18
0.545
DAR-DIA-23e5a6a0-28
0.542
CHO-MSK-6e55470f-17
0.538
CHO-MSK-6e55470f-24
0.538
RAL-THA-6b94ceba-13
0.529
CHO-MSK-6e55470f-23
0.529
RAL-THA-6b94ceba-8
0.529
RAL-THA-6b94ceba-6
0.524
RAL-THA-6b94ceba-5
0.523
WIL-MOD-03b86a88-2
0.523
RAL-THA-6b94ceba-9
0.523
CHO-MSK-6e55470f-4
0.519
RAL-THA-6b94ceba-14
0.517
RAL-THA-6b94ceba-11
0.517
RAL-THA-6b94ceba-7
0.512
TRY-UNI-714a760b-6
0.506
RAL-THA-6b94ceba-15
0.506
NAU-LAT-0543f7f2-6
0.506
RAL-THA-6b94ceba-10
0.505
ENA-ENA-cf881d10-1
0.505
MAT-POS-e501d84c-1
0.500
RAL-THA-6b94ceba-12
0.500
RAL-THA-6b94ceba-16
0.500
WIL-MOD-03b86a88-3
0.500
WIL-MOD-03b86a88-5
0.500
CHO-MSK-6e55470f-15
0.496
WIL-MOD-03b86a88-6
0.494
NAU-LAT-0543f7f2-7
0.494
EDG-MED-0da5ad92-8
0.494
MAT-POS-590ac91e-17
0.494
TRY-UNI-2eddb1ff-2
0.494
DAR-DIA-23e5a6a0-29
0.489
MAT-POS-f42f3716-3
0.485
DAR-DIA-23e5a6a0-23
0.479
DAR-DIA-23e5a6a0-25
0.479
MAT-POS-f42f3716-9
0.475
MAT-POS-044491d2-4
0.473
EDJ-MED-e58735b6-1
0.471
DAR-DIA-23e5a6a0-27
0.469
MAT-POS-044491d2-7
0.468
MAT-POS-044491d2-6
0.464
MAT-POS-f42f3716-6
0.463
MAT-POS-044491d2-1
0.463
MAT-POS-044491d2-3
0.463
DAR-DIA-23e5a6a0-21
0.460
MAT-POS-f42f3716-2
0.459
MAT-POS-044491d2-2
0.454
ALP-POS-95b75b4d-2
0.452
MIH-UNI-6b9ca91a-1
0.451
MAT-POS-f42f3716-1
0.449
MAT-POS-f42f3716-4
0.449
ALP-POS-f13221e1-4
0.448
RAL-THA-901e9a10-5
0.448
EDJ-MED-c9f55a56-1
0.446
MAT-POS-f42f3716-8
0.446
MAT-POS-f42f3716-7
0.444
VLA-UCB-00f2c2b3-2
0.444
MAT-POS-044491d2-5
0.441
MAT-POS-f42f3716-5
0.440
RAL-THA-901e9a10-1
0.438
BAR-COM-0f94fc3d-28
0.436
ANN-UNI-98d2bf15-5
0.433
RAL-THA-901e9a10-6
0.433
JAN-GHE-83b26c96-11
0.432
TRY-UNI-714a760b-5
0.432
JAN-GHE-83b26c96-12
0.430