Molecular Properties | |
SMILES: | CC(CNCCCO)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 411.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 74.25 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
MAK-UNK-c749d764-6
1.000
MAK-UNK-c749d764-22
0.660
MAK-UNK-ffc90da7-4
0.660
MAK-UNK-ffc90da7-7
0.609
VLA-UNK-9a7dc93f-7
0.557
EDJ-MED-cf4b0d25-4
0.556
JOH-UNI-3fc3434e-6
0.543
JOH-UNI-ee5ed7c8-6
0.543
MIC-UNK-d36ab305-1
0.521
MIC-UNK-6ab519a7-1
0.516
NIR-THE-590dedc7-1
0.516
MIC-UNK-5a93dd5f-10
0.516
NAU-LAT-a5c7d7cb-2
0.516
MIC-UNK-d36ab305-4
0.515
EDJ-MED-ee07cf00-4
0.515
EDJ-MED-cf4b0d25-5
0.495
ALP-POS-3b848b35-4
0.490
MIC-UNK-c66144cb-3
0.490
MIC-UNK-5a93dd5f-8
0.490
MIC-UNK-c66144cb-2
0.490
ADA-UCB-6c2cb422-1
0.489
EDJ-MED-ee07cf00-1
0.486
MIC-UNK-c66144cb-1
0.485
PET-UNK-1320d94d-21
0.481
PET-UNK-1320d94d-22
0.481
MAK-UNK-ffc90da7-6
0.481
MIC-UNK-5a93dd5f-1
0.480
MIC-UNK-5a93dd5f-2
0.480
MIC-UNK-5a93dd5f-9
0.476
MIC-UNK-5a93dd5f-4
0.476
MIC-UNK-5a93dd5f-6
0.476
EDJ-MED-ee07cf00-5
0.473
ALP-POS-f13221e1-3
0.473
PET-UNK-1320d94d-1
0.472
PET-UNK-1320d94d-2
0.472
EDJ-MED-cf4b0d25-3
0.471
EDJ-MED-ee07cf00-15
0.468
MAT-POS-fce787c2-11
0.467
MIC-UNK-5a93dd5f-11
0.467
EDJ-MED-ee07cf00-7
0.464
EDJ-MED-cf4b0d25-1
0.464
NAU-LAT-2fed8305-2
0.462
MIC-UNK-5a93dd5f-5
0.462
MAT-POS-fce787c2-3
0.462
EDJ-MED-ee07cf00-16
0.459
MAT-POS-d8472c4f-2
0.459
EDJ-MED-ee07cf00-12
0.459
MIC-UNK-5a93dd5f-7
0.458
NAU-LAT-2fed8305-1
0.457
EDJ-MED-ee07cf00-9
0.451
EDJ-MED-ee07cf00-10
0.450
MIC-UNK-5a93dd5f-12
0.450
DAR-DIA-0cde14eb-57
0.449
EDJ-MED-ee07cf00-8
0.448
MAT-POS-fce787c2-5
0.447
MIC-UNK-cdc2493e-19
0.446
MIC-UNK-5a93dd5f-3
0.444
MAT-POS-281d2ee9-1
0.444
DAR-DIA-0cde14eb-55
0.443
MAK-UNK-f481d203-3
0.443
MAK-UNK-f481d203-4
0.443
MAK-UNK-919546f0-2
0.443
EDJ-MED-ee07cf00-18
0.442
PET-UNK-1320d94d-7
0.441
PET-UNK-1320d94d-8
0.441
RAL-THA-2d450e86-27
0.441
MAT-POS-de59a476-5
0.439
EDJ-MED-ee07cf00-13
0.439
MAT-POS-a13804f0-1
0.439
PET-UNK-1320d94d-27
0.439
PET-UNK-1320d94d-28
0.439
EDJ-MED-ee07cf00-2
0.437
EDJ-MED-ee07cf00-3
0.437
DAR-DIA-0cde14eb-60
0.436
PET-UNK-1320d94d-25
0.435
EDJ-MED-ee07cf00-17
0.435
PET-UNK-1320d94d-26
0.435
DAR-DIA-0cde14eb-56
0.434
PET-UNK-1320d94d-5
0.434
PET-UNK-1320d94d-6
0.434
MAT-POS-1f3f1a6f-3
0.433
ALP-POS-f13221e1-2
0.432
MAT-POS-de59a476-2
0.432
ALP-POS-6479a3a9-3
0.431
ALP-POS-d7944b10-1
0.431
MAT-POS-1f3f1a6f-1
0.430
MAT-POS-fce787c2-4
0.430
ALP-POS-ddb41b15-6
0.430
MAT-POS-de59a476-1
0.430
MAT-POS-de59a476-4
0.430
VLA-UNK-9a7dc93f-6
0.429
EDJ-MED-cf4b0d25-2
0.427
ALP-POS-a9ad2217-2
0.427
PET-UNK-10339a1d-1
0.427
MAT-POS-fce787c2-10
0.427
MAT-POS-fce787c2-8
0.427
MAT-POS-1f3f1a6f-2
0.427
EDJ-MED-ee07cf00-11
0.426
PET-UNK-ac320b15-5
0.426
MAT-POS-a13804f0-4
0.426