Molecular Properties | |
SMILES: | CNS(=O)(=O)c1ccc2c(NC(=O)C3(O)CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 447.07 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 117.62 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-29afea89-2
EDJ-MED-6bf93aa8-1
EDJ-MED-6bf93aa8-1
0.701
EDG-MED-971238d3-1
0.652
MAT-POS-9db1e783-1
0.652
MIC-UNK-7f86385f-1
0.612
MIC-UNK-7f86385f-2
0.600
MIC-UNK-7f86385f-4
0.598
EDJ-MED-1b46f08e-1
0.551
MIC-UNK-7f86385f-5
0.536
MIC-UNK-7f86385f-3
0.527
ALF-EVA-82cf4849-3
0.525
EDG-MED-10fcb19e-2
0.514
EDG-MED-10fcb19e-3
0.514
EDG-MED-90036822-86
0.490
PET-UNK-5d7c542f-2
0.486
ALP-POS-6f6ae286-3
0.481
PET-UNK-407a74a5-10
0.481
PET-UNK-5d7c542f-1
0.481
PET-UNK-407a74a5-15
0.481
MAT-POS-2905de8c-2
0.481
MAT-POS-90fd5f68-17
0.480
RAL-THA-e002e396-5
0.477
MAT-POS-e6dd326d-12
0.477
PET-UNK-a7639856-2
0.477
RAL-THA-e002e396-2
0.477
MAT-POS-45b13633-2
0.477
MAT-POS-e6dd326d-2
0.477
EDJ-MED-e4b030d8-13
0.476
BEN-DND-a7517465-4
0.476
MAT-POS-8e4737f4-1
0.476
DAR-DIA-6a508060-10
0.476
MAT-POS-e6dd326d-4
0.473
ALP-POS-93b3621f-4
0.468
EDJ-MED-c3ea9889-5
0.468
RAL-THA-e002e396-1
0.464
EDJ-MED-611d11e7-1
0.464
MAT-POS-96f51285-2
0.464
MAT-POS-2905de8c-3
0.462
EDJ-MED-15e90dfc-7
0.461
EDJ-MED-f893e2a1-8
0.459
MAT-POS-e6dd326d-5
0.456
RAL-THA-e002e396-8
0.456
PET-UNK-bcc8fd08-3
0.455
EDJ-MED-93390d0c-3
0.455
MIC-UNK-6e9f8a43-2
0.454
EDG-MED-971238d3-11
0.453
MAT-POS-e6dd326d-13
0.452
DAR-DIA-6a508060-13
0.452
JAG-UCB-706446eb-2
0.452
EDG-MED-90036822-9
0.451
EDJ-MED-6d9ff7d0-9
0.451
EDG-MED-90036822-28
0.450
EDG-MED-90036822-29
0.450
RAL-THA-e002e396-11
0.450
MAT-POS-e6dd326d-7
0.448
RAL-THA-e002e396-7
0.447
EDG-MED-90036822-47
0.447
MAT-POS-e6dd326d-6
0.447
EDG-MED-90036822-48
0.447
RAL-THA-e002e396-6
0.446
EDG-MED-90036822-24
0.446
MAT-POS-f9802937-6
0.446
MAT-POS-5d65ec79-2
0.446
MAT-POS-f9802937-5
0.446
MAT-POS-e6dd326d-9
0.446
EDG-MED-971238d3-7
0.446
KAD-UNI-b13decd3-3
0.446
MAT-POS-24589f88-12
0.446
EDJ-MED-00143744-2
0.446
RAL-THA-58fba2bc-3
0.445
EDG-MED-90036822-13
0.445
JAG-UCB-706446eb-3
0.445
EDG-MED-971238d3-9
0.445
EDG-MED-971238d3-6
0.445
EDG-MED-971238d3-3
0.445
MAT-POS-7174c657-1
0.444
EDG-MED-0e5afe9d-3
0.444
MAT-POS-9db1e783-2
0.444
EDJ-MED-d08626de-2
0.444
PET-UNK-29afea89-2
0.444
EDG-MED-971238d3-2
0.444
EDJ-MED-d08626de-1
0.444
KAD-UNI-cb0f2bbc-23
0.444
MAT-POS-24589f88-13
0.444
EDG-MED-90036822-33
0.443
EDG-MED-90036822-80
0.443
EDG-MED-90036822-10
0.442
MAT-POS-5d65ec79-1
0.442
EDJ-MED-424a8a89-2
0.442
EDJ-MED-28ec730d-2
0.442
EDG-MED-90036822-11
0.442
MAT-POS-f9802937-3
0.442
MAT-POS-f9802937-4
0.442
EDG-MED-90036822-2
0.441
PET-UNK-824b5c6a-1
0.441
MAT-POS-45b13633-3
0.441
EDJ-MED-70ab3faf-2
0.441
MAT-POS-e6dd326d-3
0.441
EDJ-MED-8c98ee63-1
0.441
PET-UNK-29afea89-1
0.440
EDG-MED-971238d3-5
0.440