Molecular Properties | |
SMILES: | O=C1NC[C@@H](C(=O)Nc2cncc3occc23)c2cc(Cl)ccc21 |
MW: | 341.06 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 84.23 |
cLogP: | 2.95 |
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-b38839dc-12
1.000
MAT-POS-22e8b45a-1
0.636
MAT-POS-865c3497-2
0.636
ROB-UNI-322e8f70-3
0.636
MAT-POS-865c3497-1
0.636
MIC-UNK-91acba05-1
0.636
EDJ-MED-827e7cb4-1
0.624
PET-UNK-7279c968-3
0.615
ALP-POS-6f6ae286-1
0.609
PET-UNK-7279c968-5
0.609
PET-UNK-fe31e24a-1
0.606
ALP-POS-f1807566-2
0.606
PET-UNK-7279c968-9
0.606
PET-UNK-fe31e24a-2
0.589
PET-UNK-7279c968-6
0.589
PET-UNK-7279c968-2
0.589
PET-UNK-7279c968-7
0.583
PET-UNK-b38839dc-14
0.583
PET-UNK-7279c968-8
0.577
PET-UNK-b38839dc-13
0.577
EDJ-MED-d9f3798e-1
0.566
PET-UNK-7279c968-1
0.564
PET-UNK-e9bc7c59-2
0.560
PET-UNK-e9bc7c59-1
0.554
PET-UNK-e9bc7c59-3
0.554
PET-UNK-b38839dc-15
0.543
PET-UNK-b38839dc-3
0.532
EDJ-MED-dd2a8363-3
0.515
EDJ-MED-827e7cb4-7
0.505
EDJ-MED-dd2a8363-1
0.505
PET-UNK-b38839dc-6
0.505
EDJ-MED-dd2a8363-5
0.500
EDJ-MED-dd2a8363-4
0.490
PET-UNK-b38839dc-9
0.485
PET-UNK-f9b7ae87-4
0.485
PET-UNK-b38839dc-27
0.485
RAL-THA-5ed3c24e-3
0.484
EDJ-MED-827e7cb4-8
0.466
PET-UNK-19e211a9-4
0.446
DAR-DIA-9f765dc6-1
0.446
DAR-DIA-9f765dc6-4
0.446
DAR-DIA-9f765dc6-3
0.446
DAR-DIA-9f765dc6-6
0.440
DAR-DIA-9f765dc6-2
0.440
DAR-DIA-9f765dc6-5
0.440
PET-UNK-7f7e354d-7
0.440
MIC-UNK-8758c41d-2
0.430
MAR-UCB-6ab2ec87-1
0.410
EDJ-MED-f9b78f78-5
0.410
BEN-DND-d6f8d3c6-1
0.394
ALP-POS-a577c8a2-1
0.394
EDJ-MED-e18764cb-2
0.394
MAT-POS-af1eef35-3
0.394
ERI-UCB-b3e6b0c2-2
0.387
EDJ-MED-41558c53-9
0.387
PET-UNK-b1ef24dc-23
0.385
RAL-THA-8f106089-1
0.384
RAL-THA-8f106089-2
0.384
EDJ-MED-12c4873b-8
0.384
EDJ-MED-43f8f7d6-8
0.384
ERI-UCB-b3e6b0c2-11
0.383
EDJ-MED-827e7cb4-4
0.382
EDJ-MED-eb111c00-1
0.381
ALP-POS-f1807566-1
0.381
MIC-UNK-91acba05-2
0.381
MAT-POS-acfe5bae-6
0.381
EDJ-MED-f9b78f78-1
0.380
PET-UNK-37251634-6
0.376
PET-UNK-37251634-14
0.376
MAR-UCB-fd2e172f-41
0.374
PET-UNK-b38839dc-18
0.374
PET-UNK-b78139fa-8
0.371
PET-UNK-b1ef24dc-11
0.371
ERI-UCB-b3e6b0c2-5
0.371
PET-UNK-fe31e24a-5
0.369
PET-UNK-b78139fa-9
0.369
EDJ-MED-015fb6b4-2
0.366
MIC-UNK-482af05e-3
0.366
MAT-POS-acfe5bae-2
0.366
MAT-POS-a54ce14d-2
0.366
MAT-POS-a54ce14d-3
0.366
EDJ-MED-0186a59b-6
0.366
LUO-POS-edefcc0e-1
0.366
LUO-POS-74179f4f-1
0.366
BEN-BAS-c2bc0d80-2
0.365
PET-UNK-b1ef24dc-15
0.364
PET-UNK-b38839dc-30
0.364
PET-UNK-b38839dc-21
0.363
MAT-POS-3ccb8ef6-1
0.362
DAR-DIA-70d163b2-2
0.362
MAT-POS-3ccb8ef6-2
0.362
MAT-POS-d8472c4f-5
0.362
BEN-DND-f2e727cd-5
0.362
EDJ-MED-d165ed91-6
0.361
PET-UNK-b1ef24dc-19
0.361
EDJ-MED-41558c53-1
0.360
MAT-POS-edabd372-1
0.360
TET-ENA-9b1de71a-1
0.360
PET-UNK-fe31e24a-6
0.360
PET-UNK-81b485b5-19
0.360