Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCCNS(C)(=O)=O)c1 |
MW: | 397.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 97.39 |
cLogP: | 2.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Hetero_hetero
NAU-LAT-0543f7f2-1
0.769
NAU-LAT-0543f7f2-5
0.722
MAT-POS-c9973a83-1
0.671
CHO-MSK-6e55470f-5
0.632
RAL-THA-6b94ceba-1
0.621
RAL-THA-6b94ceba-3
0.621
RAL-THA-6b94ceba-4
0.621
RAL-THA-6b94ceba-12
0.617
RAL-THA-6b94ceba-2
0.614
CHO-MSK-6e55470f-1
0.600
MAT-POS-500ca5bf-1
0.600
CHO-MSK-6e55470f-8
0.585
CHO-MSK-6e55470f-9
0.585
CHO-MSK-6e55470f-10
0.585
CHO-MSK-6e55470f-6
0.583
CHO-MSK-6e55470f-13
0.581
WIL-MOD-03b86a88-1
0.580
TRY-UNI-2eddb1ff-7
0.580
WIL-MOD-03b86a88-5
0.578
WIL-MOD-03b86a88-4
0.575
RAL-THA-6b94ceba-6
0.568
CHO-MSK-6e55470f-3
0.562
CHO-MSK-6e55470f-14
0.562
CHO-MSK-6e55470f-21
0.561
RAL-THA-6b94ceba-14
0.560
CHO-MSK-6e55470f-19
0.557
CHO-MSK-6e55470f-20
0.557
DAR-DIA-23e5a6a0-30
0.556
RAL-THA-6b94ceba-13
0.554
NAU-LAT-0543f7f2-7
0.553
MAT-POS-173a45da-2
0.551
CHO-MSK-6e55470f-22
0.551
CHO-MSK-6e55470f-23
0.550
CHO-MSK-6e55470f-18
0.550
RAL-THA-6b94ceba-15
0.548
NAU-LAT-0543f7f2-6
0.547
CHO-MSK-6e55470f-16
0.545
DAR-DIA-23e5a6a0-24
0.543
RAL-THA-6b94ceba-16
0.541
DAR-DIA-23e5a6a0-26
0.538
WIL-MOD-03b86a88-6
0.535
RAL-THA-6b94ceba-8
0.535
CHO-MSK-6e55470f-11
0.535
DAR-DIA-23e5a6a0-28
0.531
RAL-THA-6b94ceba-5
0.529
WIL-MOD-03b86a88-2
0.529
DAR-DIA-23e5a6a0-22
0.526
CHO-MSK-6e55470f-2
0.524
CHO-MSK-6e55470f-7
0.524
WIL-MOD-03b86a88-3
0.523
RAL-THA-6b94ceba-7
0.518
CHO-MSK-6e55470f-12
0.514
CHO-MSK-6e55470f-17
0.514
CHO-MSK-6e55470f-24
0.514
TRY-UNI-714a760b-6
0.512
RAL-THA-6b94ceba-9
0.511
CHO-MSK-6e55470f-4
0.509
RAL-THA-6b94ceba-11
0.506
MAT-POS-f42f3716-3
0.505
TRY-UNI-2eddb1ff-2
0.500
EDG-MED-0da5ad92-8
0.500
MAT-POS-f42f3716-6
0.500
MAT-POS-f42f3716-2
0.495
RAL-THA-6b94ceba-10
0.495
MAT-POS-044491d2-4
0.495
MAT-POS-e501d84c-1
0.489
MAT-POS-044491d2-3
0.484
DAR-DIA-23e5a6a0-29
0.479
ENA-ENA-cf881d10-1
0.478
EDJ-MED-e58735b6-1
0.476
MAT-POS-044491d2-7
0.473
MAT-POS-044491d2-6
0.469
DAR-DIA-23e5a6a0-25
0.469
DAR-DIA-23e5a6a0-23
0.469
MAT-POS-044491d2-1
0.468
NAU-LAT-0543f7f2-4
0.465
NAU-LAT-0543f7f2-9
0.465
DAR-DIA-23e5a6a0-21
0.465
MAT-POS-f42f3716-7
0.464
DAR-DIA-23e5a6a0-27
0.459
MAT-POS-044491d2-2
0.458
BAR-COM-0f94fc3d-28
0.457
MAT-POS-f42f3716-4
0.454
MAT-POS-f42f3716-1
0.454
ALP-POS-f13221e1-4
0.453
RAL-THA-901e9a10-5
0.453
MAT-POS-f42f3716-8
0.450
MAT-POS-f42f3716-9
0.450
CHO-MSK-6e55470f-15
0.450
EDG-MED-0da5ad92-7
0.446
MAT-POS-f42f3716-5
0.444
DAR-DIA-0587064e-4
0.443
DAR-DIA-0587064e-2
0.443
RAL-THA-901e9a10-1
0.442
GAB-REV-70cc3ca5-20
0.440
ANN-UNI-98d2bf15-5
0.438
TRY-UNI-714a760b-5
0.438
RAL-THA-901e9a10-6
0.438
JAN-GHE-83b26c96-11
0.438
RAL-THA-901e9a10-2
0.433