Molecular Properties | |
SMILES: | CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H](C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)O1 |
MW: | 494.17 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.84 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-1320d94d-22
1.000
PET-UNK-1320d94d-25
0.792
PET-UNK-1320d94d-26
0.792
PET-UNK-10339a1d-1
0.776
ALP-POS-a9ad2217-2
0.776
PET-UNK-1320d94d-23
0.760
PET-UNK-1320d94d-24
0.760
PET-UNK-1320d94d-29
0.725
PET-UNK-1320d94d-30
0.725
PET-UNK-1320d94d-28
0.693
PET-UNK-1320d94d-27
0.693
PET-UNK-1320d94d-1
0.677
PET-UNK-1320d94d-2
0.677
PET-UNK-1320d94d-11
0.551
PET-UNK-1320d94d-12
0.551
EDJ-MED-cf4b0d25-4
0.531
MIC-UNK-5a93dd5f-8
0.529
VLA-UNK-9a7dc93f-7
0.516
MIC-UNK-5a93dd5f-6
0.514
MIC-UNK-5a93dd5f-9
0.514
EDJ-MED-cf4b0d25-3
0.509
PET-UNK-1320d94d-5
0.509
PET-UNK-1320d94d-6
0.509
PET-UNK-ac320b15-8
0.500
EDJ-MED-ee07cf00-11
0.500
PET-UNK-1320d94d-3
0.500
PET-UNK-ac320b15-5
0.500
PET-UNK-ac320b15-6
0.500
MAT-POS-7174c657-5
0.500
MAT-POS-a13804f0-4
0.500
PET-UNK-ac320b15-10
0.500
PET-UNK-1320d94d-4
0.500
PET-UNK-ac320b15-7
0.500
PET-UNK-ac320b15-9
0.500
MAT-POS-8293a91a-2
0.500
MAT-POS-8293a91a-6
0.500
MAT-POS-8293a91a-7
0.500
MAT-POS-7174c657-6
0.500
MAT-POS-d8472c4f-2
0.496
MIC-UNK-5a93dd5f-7
0.495
EDJ-MED-ee07cf00-4
0.495
MIC-UNK-d36ab305-4
0.495
NAU-LAT-a5c7d7cb-2
0.495
MIC-UNK-6ab519a7-1
0.495
NIR-THE-590dedc7-1
0.495
MIC-UNK-5a93dd5f-10
0.495
EDJ-MED-cf4b0d25-5
0.491
MIC-UNK-5a93dd5f-2
0.490
MIC-UNK-5a93dd5f-1
0.490
ALP-POS-3b848b35-4
0.486
MIC-UNK-5a93dd5f-4
0.486
MIC-UNK-c66144cb-3
0.486
MAT-POS-1f3f1a6f-2
0.485
PET-UNK-1320d94d-9
0.483
PET-UNK-1320d94d-10
0.483
MAK-UNK-c749d764-6
0.481
MAK-UNK-ffc90da7-1
0.481
PET-UNK-1320d94d-7
0.478
PET-UNK-1320d94d-8
0.478
MAK-UNK-ffc90da7-7
0.476
JOH-UNI-ee5ed7c8-6
0.475
JOH-UNI-3fc3434e-6
0.475
MAK-UNK-c749d764-22
0.474
MAK-UNK-ffc90da7-4
0.474
MIC-UNK-5a93dd5f-5
0.473
MIC-UNK-d36ab305-1
0.471
MIC-UNK-5a93dd5f-11
0.464
EDJ-MED-cf4b0d25-2
0.462
EDJ-MED-ee07cf00-6
0.458
MIC-UNK-5a93dd5f-3
0.455
MAT-POS-a13804f0-1
0.449
EDJ-MED-ee07cf00-13
0.449
MIC-UNK-5a93dd5f-12
0.447
MIC-UNK-c66144cb-2
0.444
MIC-UNK-cdc2493e-11
0.443
EDJ-MED-ee07cf00-18
0.441
MIC-UNK-c66144cb-1
0.440
MIC-UNK-bcd487e9-6
0.440
MIC-UNK-cdc2493e-17
0.439
NAU-LAT-2fed8305-1
0.439
EDJ-MED-ee07cf00-7
0.437
EDJ-MED-cf4b0d25-1
0.436
MIC-UNK-cdc2493e-12
0.435
EDJ-MED-ee07cf00-1
0.432
MIC-UNK-cdc2493e-20
0.431
EDJ-MED-ee07cf00-12
0.431
MIC-UNK-bcd487e9-3
0.430
MAT-POS-fce787c2-3
0.429
MIC-UNK-cdc2493e-18
0.427
MIC-UNK-bcd487e9-4
0.427
EDJ-MED-ee07cf00-10
0.424
MIC-UNK-cdc2493e-21
0.423
EDJ-MED-ee07cf00-14
0.423
ADA-UCB-6c2cb422-1
0.423
MIC-UNK-bcd487e9-2
0.422
EDJ-MED-ee07cf00-17
0.421
MIC-UNK-cdc2493e-6
0.421
EDJ-MED-ee07cf00-5
0.420
EDJ-MED-ee07cf00-16
0.420
MIC-UNK-cdc2493e-2
0.420