Molecular Properties | |
SMILES: | CC(=O)NCCOc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1 |
MW: | 361.12 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
NAU-LAT-0543f7f2-2
0.769
NAU-LAT-0543f7f2-5
0.696
MAT-POS-c9973a83-1
0.689
RAL-THA-6b94ceba-3
0.635
RAL-THA-6b94ceba-4
0.635
RAL-THA-6b94ceba-1
0.635
CHO-MSK-6e55470f-5
0.628
RAL-THA-6b94ceba-2
0.628
CHO-MSK-6e55470f-1
0.613
MAT-POS-500ca5bf-1
0.613
NAU-LAT-0543f7f2-9
0.607
RAL-THA-6b94ceba-5
0.600
CHO-MSK-6e55470f-13
0.593
WIL-MOD-03b86a88-4
0.588
RAL-THA-6b94ceba-6
0.582
CHO-MSK-6e55470f-8
0.581
CHO-MSK-6e55470f-9
0.581
CHO-MSK-6e55470f-10
0.581
CHO-MSK-6e55470f-6
0.579
WIL-MOD-03b86a88-1
0.575
TRY-UNI-2eddb1ff-7
0.575
CHO-MSK-6e55470f-3
0.574
CHO-MSK-6e55470f-14
0.574
CHO-MSK-6e55470f-21
0.573
CHO-MSK-6e55470f-19
0.568
CHO-MSK-6e55470f-20
0.568
DAR-DIA-23e5a6a0-30
0.568
RAL-THA-6b94ceba-8
0.566
MAT-POS-173a45da-2
0.562
CHO-MSK-6e55470f-22
0.562
CHO-MSK-6e55470f-23
0.561
CHO-MSK-6e55470f-16
0.557
DAR-DIA-23e5a6a0-24
0.556
WIL-MOD-03b86a88-3
0.554
CHO-MSK-6e55470f-2
0.550
DAR-DIA-23e5a6a0-26
0.549
CHO-MSK-6e55470f-11
0.545
CHO-MSK-6e55470f-18
0.545
WIL-MOD-03b86a88-2
0.541
RAL-THA-6b94ceba-9
0.541
DAR-DIA-23e5a6a0-22
0.538
RAL-THA-6b94ceba-14
0.536
RAL-THA-6b94ceba-11
0.535
CHO-MSK-6e55470f-7
0.535
RAL-THA-6b94ceba-7
0.530
RAL-THA-6b94ceba-13
0.530
WIL-MOD-03b86a88-6
0.529
DAR-DIA-23e5a6a0-28
0.526
TRY-UNI-714a760b-6
0.526
CHO-MSK-6e55470f-17
0.524
CHO-MSK-6e55470f-12
0.524
RAL-THA-6b94ceba-15
0.524
NAU-LAT-0543f7f2-6
0.523
RAL-THA-6b94ceba-10
0.523
CHO-MSK-6e55470f-4
0.519
RAL-THA-6b94ceba-16
0.518
RAL-THA-6b94ceba-12
0.518
WIL-MOD-03b86a88-5
0.518
TRY-UNI-2eddb1ff-2
0.513
EDG-MED-0da5ad92-8
0.513
NAU-LAT-0543f7f2-7
0.512
MAT-POS-f42f3716-6
0.511
CHO-MSK-6e55470f-24
0.509
ENA-ENA-cf881d10-1
0.506
MAT-POS-f42f3716-3
0.500
MAT-POS-e501d84c-1
0.500
DAR-DIA-23e5a6a0-29
0.489
MAT-POS-044491d2-4
0.489
EDJ-MED-e58735b6-1
0.488
MAT-POS-044491d2-7
0.484
DAR-DIA-23e5a6a0-23
0.479
DAR-DIA-23e5a6a0-25
0.479
MAT-POS-044491d2-1
0.478
MAT-POS-044491d2-3
0.478
DAR-DIA-23e5a6a0-21
0.474
CHO-MSK-6e55470f-15
0.470
MAT-POS-f42f3716-5
0.469
MAT-POS-044491d2-2
0.468
BAR-COM-0f94fc3d-28
0.467
ALP-POS-f13221e1-4
0.464
MAT-POS-f42f3716-1
0.463
MAT-POS-044491d2-6
0.463
MAT-POS-f42f3716-4
0.463
MAT-POS-f42f3716-9
0.459
MAT-POS-f42f3716-8
0.459
MAT-POS-f42f3716-7
0.458
MAT-POS-f42f3716-2
0.458
EDG-MED-0da5ad92-7
0.456
MIC-UNK-ea979c74-3
0.455
DAR-DIA-23e5a6a0-27
0.454
DAR-DIA-0587064e-4
0.453
DAR-DIA-0587064e-2
0.453
NAU-LAT-0543f7f2-3
0.449
NAU-LAT-30527ac5-5
0.449
JAN-GHE-83b26c96-11
0.449
TRY-UNI-714a760b-5
0.449
ANN-UNI-98d2bf15-5
0.448
RAL-THA-901e9a10-5
0.447
JAN-GHE-83b26c96-12
0.446
MAT-POS-044491d2-5
0.440