Molecular Properties | |
SMILES: | COc1cc(Cl)cc2c1OC[C@@H](C)[C@@]2(C)C(=O)Nc1cncc2ccccc12 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-25
1.000
DAR-DIA-0d514e7d-28
0.638
DAR-DIA-0d514e7d-29
0.638
DAR-DIA-0d514e7d-27
0.625
DAR-DIA-0d514e7d-2
0.576
DAR-DIA-0d514e7d-1
0.576
DAR-DIA-6a508060-4
0.525
MAT-POS-43fe65f4-1
0.525
EDJ-MED-e4b030d8-7
0.525
RAL-THA-05e671eb-19
0.525
DAR-DIA-0d514e7d-19
0.495
PET-UNK-c0891748-7
0.495
ALP-POS-fe871b40-7
0.495
EDJ-MED-37aac4bd-5
0.495
PET-UNK-c0891748-1
0.495
MAT-POS-2e8b2191-5
0.495
DAR-DIA-0d514e7d-6
0.491
BEN-DND-a7517465-4
0.485
DAR-DIA-6a508060-10
0.485
EDJ-MED-e4b030d8-13
0.485
MAT-POS-8e4737f4-1
0.485
DAR-DIA-0d514e7d-30
0.485
DAR-DIA-0d514e7d-18
0.481
PET-UNK-81b485b5-1
0.481
PET-UNK-81b485b5-15
0.481
MAR-UCB-6ab2ec87-3
0.480
DAR-DIA-0d514e7d-4
0.473
ALP-POS-fe871b40-3
0.472
ALP-POS-f1807566-3
0.472
MIC-UNK-89b52b17-3
0.472
MIC-UNK-ea4eb352-4
0.471
RAL-THA-176e263b-4
0.471
MAT-POS-22e8b45a-2
0.471
EDJ-MED-e4b030d8-1
0.471
VLA-UCB-1dbca3b4-14
0.471
EDJ-MED-d08626de-1
0.467
PET-UNK-29afea89-2
0.467
EDJ-MED-d08626de-2
0.467
EDG-MED-0e5afe9d-3
0.467
PET-UNK-1b92fa34-5
0.462
MAT-POS-89e65850-2
0.462
JOH-UNI-e398da21-1
0.462
MAT-POS-2e8b2191-4
0.462
EDG-MED-971238d3-11
0.462
DAR-DIA-0d514e7d-24
0.459
PET-UNK-c0891748-5
0.458
PET-UNK-c0891748-11
0.458
MIC-UNK-e8d6fb58-1
0.457
MAT-POS-2905de8c-3
0.456
LUO-POS-433ce175-1
0.456
MAR-UCB-6ab2ec87-4
0.455
DAR-DIA-0d514e7d-23
0.455
ADA-UCB-dc2b944c-4
0.453
PET-UNK-022eab87-2
0.452
EDJ-MED-28ec730d-2
0.450
ALP-POS-fe871b40-8
0.449
EDJ-MED-70ab3faf-1
0.448
MAT-POS-2905de8c-2
0.448
PET-UNK-407a74a5-5
0.448
PET-UNK-407a74a5-8
0.448
MAT-POS-fb82b63d-2
0.447
EDJ-MED-2f867453-1
0.447
EDJ-MED-e4b030d8-4
0.445
EDJ-MED-37aac4bd-6
0.445
RAL-THA-e002e396-11
0.445
EDJ-MED-211392e3-1
0.444
MIC-UNK-ea4eb352-1
0.444
MIC-UNK-89b52b17-1
0.444
PET-UNK-c0891748-3
0.444
PET-UNK-c0891748-9
0.444
MAT-POS-22e8b45a-3
0.444
RAL-THA-176e263b-1
0.444
PET-UNK-407a74a5-3
0.444
EDG-MED-90036822-86
0.443
MAT-POS-78e1d523-3
0.443
EDJ-MED-d08626de-3
0.443
MAT-POS-78e1d523-4
0.443
EDJ-MED-d08626de-4
0.443
EDJ-MED-d08626de-5
0.443
EDJ-MED-37aac4bd-1
0.443
ALP-POS-1cbc2fae-1
0.443
MAT-POS-806462de-1
0.443
MAT-POS-806462de-2
0.443
PET-UNK-ad758083-3
0.442
EDG-MED-971238d3-1
0.442
MAT-POS-9db1e783-1
0.442
EDJ-MED-9e38fd34-2
0.441
EDJ-MED-9e38fd34-1
0.441
EDJ-MED-9e38fd34-3
0.441
PET-UNK-1abb40f2-2
0.440
DAR-DIA-0d514e7d-9
0.440
DAR-DIA-e7614d05-2
0.440
ALP-POS-93b3621f-1
0.440
DAR-DIA-e7614d05-3
0.440
DAR-DIA-e7614d05-1
0.440
PET-UNK-1abb40f2-4
0.440
VLA-UNK-a5257d84-1
0.439
EDJ-MED-28ec730d-1
0.439
PET-UNK-4d432d33-3
0.439
PET-UNK-4d432d33-7
0.439