Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC3(COC3)N2)c1 |
MW: | 373.12 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 72.48 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
DAR-DIA-23e5a6a0-30
0.857
DAR-DIA-23e5a6a0-24
0.835
TRY-UNI-2eddb1ff-7
0.732
WIL-MOD-03b86a88-1
0.732
DAR-DIA-23e5a6a0-22
0.721
WIL-MOD-03b86a88-4
0.707
DAR-DIA-23e5a6a0-28
0.705
MAT-POS-c9973a83-1
0.646
DAR-DIA-23e5a6a0-25
0.636
DAR-DIA-23e5a6a0-29
0.578
DAR-DIA-23e5a6a0-23
0.565
WIL-MOD-03b86a88-2
0.563
NAU-LAT-0543f7f2-5
0.562
MAT-POS-e501d84c-1
0.557
NAU-LAT-0543f7f2-1
0.549
RAL-THA-901e9a10-5
0.549
RAL-THA-6b94ceba-3
0.548
RAL-THA-6b94ceba-4
0.548
RAL-THA-6b94ceba-1
0.548
RAL-THA-6b94ceba-2
0.543
CHO-MSK-6e55470f-5
0.543
RAL-THA-901e9a10-1
0.538
NAU-LAT-0543f7f2-2
0.538
CHO-MSK-6e55470f-8
0.535
CHO-MSK-6e55470f-9
0.535
RAL-THA-6b94ceba-7
0.535
MAT-POS-500ca5bf-1
0.535
CHO-MSK-6e55470f-1
0.535
RAL-THA-901e9a10-6
0.533
RAL-THA-901e9a10-2
0.527
DAR-DIA-23e5a6a0-21
0.526
RAL-THA-6b94ceba-12
0.523
RAL-THA-6b94ceba-14
0.523
RAL-THA-6b94ceba-16
0.523
DAR-DIA-23e5a6a0-27
0.521
RAL-THA-6b94ceba-8
0.517
RAL-THA-6b94ceba-6
0.512
RAL-THA-6b94ceba-5
0.511
RAL-THA-6b94ceba-15
0.511
RAL-THA-6b94ceba-9
0.511
RAL-THA-901e9a10-4
0.510
TRY-UNI-2eddb1ff-6
0.510
RAL-THA-901e9a10-3
0.510
CHO-MSK-6e55470f-20
0.510
CHO-MSK-6e55470f-2
0.509
CHO-MSK-6e55470f-7
0.509
WIL-MOD-03b86a88-3
0.506
RAL-THA-6b94ceba-11
0.505
MAT-POS-173a45da-2
0.505
CHO-MSK-6e55470f-18
0.505
RAL-THA-6b94ceba-13
0.500
MAT-POS-f42f3716-1
0.500
WIL-MOD-03b86a88-6
0.500
NAU-LAT-0543f7f2-7
0.500
CHO-MSK-6e55470f-13
0.500
CHO-MSK-6e55470f-4
0.495
DAR-DIA-23e5a6a0-13
0.495
CHO-MSK-6e55470f-19
0.495
RAL-THA-6b94ceba-10
0.495
ENA-ENA-cf881d10-1
0.495
NAU-LAT-0543f7f2-6
0.495
CHO-MSK-6e55470f-23
0.491
CHO-MSK-6e55470f-22
0.490
CHO-MSK-6e55470f-6
0.490
CHO-MSK-6e55470f-10
0.490
MAT-POS-044491d2-2
0.490
WIL-MOD-03b86a88-5
0.489
ALF-EVA-0b412456-4
0.485
CHO-MSK-6e55470f-3
0.485
CHO-MSK-6e55470f-14
0.485
ALF-EVA-0b412456-3
0.485
MAT-POS-044491d2-1
0.484
MAT-POS-044491d2-3
0.484
BRU-LEF-c49414a7-1
0.484
RAL-THA-901e9a10-7
0.484
TRY-UNI-2eddb1ff-2
0.482
EDG-MED-0da5ad92-8
0.482
ALF-EVA-0b412456-6
0.481
MAT-POS-044491d2-4
0.479
CHO-MSK-6e55470f-11
0.477
TRY-UNI-714a760b-6
0.476
MAT-POS-f42f3716-5
0.475
CHO-MSK-6e55470f-16
0.472
CHO-MSK-6e55470f-21
0.472
MAT-POS-044491d2-6
0.469
MAT-POS-f42f3716-6
0.469
RAL-THA-901e9a10-8
0.464
CHO-MSK-6e55470f-15
0.463
ALP-POS-3b848b35-2
0.461
EDJ-MED-7320d5d2-1
0.461
MAT-POS-3b92565d-3
0.461
MAT-POS-044491d2-5
0.461
MAT-POS-f42f3716-3
0.460
CHO-MSK-6e55470f-17
0.459
MAT-POS-044491d2-7
0.458
BAR-COM-0f94fc3d-28
0.457
PET-UNK-cf04cb02-1
0.455
MAT-POS-f42f3716-9
0.451
MAT-POS-f42f3716-2
0.450
CHO-MSK-6e55470f-12
0.446