Molecular Properties | |
SMILES: | O=C1NC[C@@H](C(=O)Nc2cncc3sccc23)c2cc(Cl)ccc21 |
MW: | 357.03 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-865c3497-2
0.629
ROB-UNI-322e8f70-3
0.629
MAT-POS-865c3497-1
0.629
MIC-UNK-91acba05-1
0.629
MAT-POS-22e8b45a-1
0.629
PET-UNK-7279c968-5
0.620
ALP-POS-6f6ae286-1
0.620
PET-UNK-b38839dc-12
0.615
PET-UNK-7279c968-4
0.615
ALP-POS-f1807566-2
0.600
PET-UNK-fe31e24a-1
0.600
PET-UNK-7279c968-6
0.600
PET-UNK-b38839dc-13
0.588
PET-UNK-7279c968-8
0.588
PET-UNK-fe31e24a-2
0.583
PET-UNK-7279c968-9
0.583
EDJ-MED-827e7cb4-1
0.583
PET-UNK-b38839dc-14
0.577
PET-UNK-7279c968-7
0.577
PET-UNK-7279c968-2
0.565
PET-UNK-7f7e354d-2
0.564
EDJ-MED-d9f3798e-1
0.560
PET-UNK-e9bc7c59-2
0.554
PET-UNK-e9bc7c59-1
0.549
PET-UNK-e9bc7c59-3
0.549
PET-UNK-7f7e354d-3
0.547
PET-UNK-7279c968-1
0.542
PET-UNK-7f7e354d-1
0.537
EDJ-MED-dd2a8363-1
0.515
PET-UNK-7f7e354d-4
0.510
PET-UNK-7f7e354d-6
0.510
EDJ-MED-dd2a8363-4
0.500
PET-UNK-7f7e354d-5
0.495
EDJ-MED-dd2a8363-5
0.495
PET-UNK-f9b7ae87-3
0.495
EDJ-MED-dd2a8363-3
0.495
RAL-THA-5ed3c24e-3
0.479
EDJ-MED-827e7cb4-7
0.469
PET-UNK-615ad708-4
0.451
PET-UNK-19e211a9-3
0.451
PET-UNK-615ad708-1
0.451
JIN-POS-6dc588a4-22
0.451
DAR-DIA-9f765dc6-5
0.450
DAR-DIA-9f765dc6-2
0.450
DAR-DIA-9f765dc6-6
0.450
EDJ-MED-827e7cb4-8
0.434
DAR-DIA-9f765dc6-3
0.427
DAR-DIA-9f765dc6-1
0.427
DAR-DIA-9f765dc6-4
0.427
MIC-UNK-8758c41d-2
0.426
MAR-UCB-6ab2ec87-1
0.392
EDJ-MED-f9b78f78-5
0.392
EDJ-MED-12c4873b-8
0.381
EDJ-MED-43f8f7d6-8
0.381
RAL-THA-8f106089-2
0.381
RAL-THA-8f106089-1
0.381
PET-UNK-0df12184-5
0.380
MAR-UCB-fd2e172f-24
0.380
PET-UNK-c65ea24c-6
0.378
ALP-POS-a577c8a2-1
0.377
MAT-POS-14f31916-5
0.377
PET-UNK-b1ef24dc-16
0.377
PET-UNK-b1ef24dc-12
0.377
EDJ-MED-e18764cb-2
0.377
BEN-DND-d6f8d3c6-1
0.377
MAT-POS-af1eef35-3
0.377
PET-UNK-ab76d8f6-6
0.376
PET-UNK-37251634-7
0.373
PET-UNK-37251634-15
0.373
PET-UNK-c65ea24c-18
0.373
PET-UNK-b1ef24dc-24
0.371
ERI-UCB-b3e6b0c2-2
0.370
EDJ-MED-41558c53-9
0.370
PET-UNK-c671f938-6
0.367
ERI-UCB-b3e6b0c2-11
0.367
PET-UNK-c671f938-2
0.367
PET-UNK-81b485b5-4
0.366
PET-UNK-81b485b5-18
0.366
MAT-POS-acfe5bae-6
0.364
EDJ-MED-eb111c00-1
0.364
ALP-POS-f1807566-1
0.364
MIC-UNK-91acba05-2
0.364
EDJ-MED-f9b78f78-1
0.364
PET-UNK-37251634-4
0.361
PET-UNK-37251634-12
0.361
PET-UNK-2c6614b6-8
0.361
PET-UNK-4d432d33-6
0.360
PET-UNK-4d432d33-2
0.360
PET-UNK-c671f938-5
0.360
PET-UNK-c671f938-1
0.360
BEN-DND-f2e727cd-5
0.358
DAR-DIA-70d163b2-2
0.358
PET-UNK-b1ef24dc-8
0.358
MAT-POS-3ccb8ef6-1
0.358
MAT-POS-d8472c4f-5
0.358
MAT-POS-3ccb8ef6-2
0.358
EDJ-MED-d165ed91-6
0.358
PET-UNK-b1ef24dc-20
0.358
PET-UNK-4d432d33-5
0.357
PET-UNK-4d432d33-1
0.357