Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CNC(=O)c4ccc(Cl)cc43)cncc2cc1Cl |
MW: | 415.05 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.32 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-7279c968-8
0.787
PET-UNK-b38839dc-13
0.787
PET-UNK-7279c968-6
0.688
ALP-POS-f1807566-2
0.688
PET-UNK-fe31e24a-1
0.688
PET-UNK-7279c968-9
0.670
PET-UNK-7279c968-7
0.646
PET-UNK-7279c968-5
0.638
ALP-POS-6f6ae286-1
0.638
PET-UNK-e9bc7c59-2
0.636
PET-UNK-fe31e24a-2
0.635
EDJ-MED-827e7cb4-1
0.635
ROB-UNI-322e8f70-3
0.630
MAT-POS-865c3497-2
0.630
MAT-POS-22e8b45a-1
0.630
MAT-POS-865c3497-1
0.630
MIC-UNK-91acba05-1
0.630
PET-UNK-e9bc7c59-3
0.630
EDJ-MED-d9f3798e-1
0.610
PET-UNK-e9bc7c59-1
0.598
PET-UNK-b38839dc-12
0.583
PET-UNK-7279c968-4
0.583
PET-UNK-7279c968-3
0.577
PET-UNK-b38839dc-17
0.574
PET-UNK-b38839dc-5
0.570
PET-UNK-7279c968-2
0.568
PET-UNK-7279c968-1
0.561
PET-UNK-b38839dc-8
0.548
PET-UNK-b38839dc-29
0.533
PET-UNK-b38839dc-11
0.528
EDJ-MED-dd2a8363-5
0.515
EDJ-MED-dd2a8363-3
0.485
PET-UNK-b38839dc-2
0.485
EDJ-MED-dd2a8363-4
0.476
EDJ-MED-dd2a8363-1
0.476
EDJ-MED-827e7cb4-8
0.467
EDJ-MED-827e7cb4-7
0.461
RAL-THA-5ed3c24e-3
0.455
RUB-POS-1325a9ea-10
0.449
MIC-UNK-8758c41d-2
0.447
DAR-DIA-9f765dc6-6
0.442
DAR-DIA-9f765dc6-2
0.442
DAR-DIA-9f765dc6-5
0.442
PET-UNK-b38839dc-16
0.441
EDJ-MED-f9b78f78-5
0.441
ERI-UCB-b3e6b0c2-8
0.438
PET-UNK-b38839dc-4
0.436
PET-UNK-fe31e24a-5
0.436
DAR-DIA-9f765dc6-1
0.434
DAR-DIA-9f765dc6-3
0.434
DAR-DIA-9f765dc6-4
0.434
JOH-UNI-d2a12aa9-4
0.426
ERI-UCB-b3e6b0c2-16
0.425
EDJ-MED-d165ed91-6
0.424
EDJ-MED-f9b78f78-1
0.422
EDJ-MED-eb111c00-2
0.421
PET-UNK-b38839dc-7
0.421
PET-UNK-b38839dc-20
0.420
ERI-UCB-b3e6b0c2-2
0.417
EDJ-MED-41558c53-9
0.417
PET-UNK-b38839dc-23
0.414
MAR-UCB-6ab2ec87-1
0.413
ERI-UCB-b3e6b0c2-11
0.413
PET-UNK-b38839dc-28
0.412
EDJ-MED-43f8f7d6-8
0.412
EDJ-MED-12c4873b-8
0.412
RAL-THA-8f106089-1
0.412
RAL-THA-8f106089-2
0.412
PET-UNK-f9b7ae87-8
0.412
MAT-POS-af1eef35-3
0.411
BEN-DND-d6f8d3c6-1
0.411
EDJ-MED-e18764cb-2
0.411
ALP-POS-a577c8a2-1
0.411
PET-UNK-b38839dc-10
0.410
PET-UNK-e9bc7c59-6
0.410
PET-UNK-e9bc7c59-5
0.405
PET-UNK-fe31e24a-6
0.402
EDJ-MED-41558c53-11
0.402
EDJ-MED-41558c53-1
0.402
PET-UNK-c671f938-6
0.400
EDJ-MED-d165ed91-5
0.400
PET-UNK-c671f938-2
0.400
EDJ-MED-f9b78f78-2
0.400
EDJ-MED-eb111c00-1
0.398
MIC-UNK-91acba05-2
0.398
EDJ-MED-d9f3798e-2
0.397
EDJ-MED-0186a59b-6
0.395
LUO-POS-edefcc0e-1
0.395
LUO-POS-74179f4f-1
0.395
EDJ-MED-41558c53-7
0.393
EDJ-MED-41558c53-10
0.393
PET-UNK-b78139fa-3
0.393
PET-UNK-b78139fa-2
0.393
MAT-POS-edabd372-1
0.389
PET-UNK-19e211a9-5
0.389
PET-UNK-b38839dc-26
0.388
EDJ-MED-12c4873b-6
0.388
PET-UNK-c7ac4d9e-1
0.388
PET-UNK-c7ac4d9e-2
0.388
EDJ-MED-43f8f7d6-7
0.388