Molecular Properties | |
SMILES: | COc1cccc(CCN(C(=O)c2cc(=O)[nH]c3cc(OC)ccc23)c2cccc(Cl)c2)c1 |
MW: | 462.13 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.63 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ddb41b15-4
0.761
ALP-POS-19e898d3-1
0.726
ALP-POS-fc6c627f-1
0.657
ALP-POS-fc6c627f-2
0.646
ALP-POS-fc6c627f-3
0.459
ALP-POS-ddb41b15-3
0.395
ALP-UNI-ed5cdfd2-1
0.339
JAN-GHE-82a280f8-2
0.330
DAR-DIA-8e329c92-10
0.321
ERI-UCB-a0b0dbcb-11
0.319
JAG-UCB-c61058a9-46
0.311
EDJ-MED-c8e7a002-1
0.309
MAT-POS-590ac91e-37
0.304
MIC-UNK-cdc2493e-3
0.299
BEN-DND-b89db3f2-5
0.297
EDJ-MED-edeb0d3a-1
0.297
JAN-GHE-82a280f8-3
0.297
ALP-POS-ddb41b15-2
0.296
MAT-UCB-93f6aed8-2
0.285
MAT-POS-c20a539d-1
0.283
MAR-TRE-d3c2bf0e-54
0.283
MAT-POS-3b536971-2
0.282
ERI-UCB-ce40166b-23
0.281
ALP-POS-bea7b391-2
0.280
MAT-POS-590ac91e-43
0.280
NAU-LAT-a5c7d7cb-7
0.278
ALP-POS-05819dc4-1
0.277
EDJ-MED-c8e7a002-3
0.277
MAT-POS-53907a1c-1
0.277
MAT-POS-590ac91e-50
0.276
BEN-DND-7e92b6ca-12
0.276
MAR-UCB-f313ec4d-5
0.276
MAR-TRE-3e4e6814-72
0.275
JAN-GHE-f4ca5a00-10
0.274
MIC-UNK-cdc2493e-16
0.270
EDJ-MED-c8e7a002-2
0.270
BEN-DND-1e24cf73-6
0.270
ALP-POS-ddb41b15-9
0.268
MAT-POS-3b536971-1
0.267
ERI-UCB-a0b0dbcb-1
0.267
EDJ-MED-edeb0d3a-2
0.267
MIC-UNK-cdc2493e-19
0.267
MAT-POS-590ac91e-38
0.267
MAT-POS-590ac91e-55
0.266
EDJ-MED-edeb0d3a-3
0.264
EDJ-MED-00c1612e-1
0.263
PET-UNK-8df914d1-1
0.263
ERI-UCB-a0b0dbcb-12
0.263
MIC-UNK-bcd487e9-1
0.263
MAT-POS-590ac91e-34
0.262
MAR-TRE-4b834d9a-94
0.262
JAN-GHE-83b26c96-16
0.262
EDJ-MED-6e43a462-1
0.261
MAT-POS-590ac91e-32
0.261
MAR-TRE-4b834d9a-3
0.261
MIC-UNK-bcd487e9-7
0.260
MAT-POS-590ac91e-51
0.260
DAR-DIA-1a77c53a-17
0.260
RAL-THA-2d450e86-11
0.259
JOR-UNI-2fc98d0b-2
0.259
BEN-DND-7e92b6ca-2
0.259
BEN-DND-1e24cf73-7
0.259
MAR-TRE-36bf7dba-54
0.257
MAT-POS-3b92565d-5
0.256
NAU-LAT-56d5284e-2
0.256
MAT-POS-590ac91e-40
0.256
EDJ-MED-d1cd9639-2
0.256
BEN-DND-7e92b6ca-3
0.254
MAT-POS-0c8fa4a7-2
0.254
JAN-GHE-f4ca5a00-9
0.254
MAR-TRE-04c86cea-20
0.254
MAT-POS-e1b5ac6b-1
0.252
ROB-UNI-daaf9793-1
0.252
NAU-LAT-56d5284e-8
0.252
MIC-UNK-bcd487e9-10
0.252
ALP-POS-bea7b391-1
0.252
MAT-POS-590ac91e-65
0.252
ALP-POS-bea7b391-3
0.252
MAR-TRE-d0525fbf-6
0.252
ALP-POS-75715966-3
0.250
CHO-MSK-00c5269a-2
0.250
ADA-UCB-6c2cb422-8
0.250
ERI-UCB-a0b0dbcb-2
0.250
MIC-UNK-cdc2493e-24
0.250
DAR-DIA-1a77c53a-24
0.248
MAT-UCB-93f6aed8-1
0.248
ALP-POS-1245c3fa-2
0.248
DAR-DIA-1a77c53a-8
0.248
MAR-TRE-d0525fbf-68
0.248
MIC-UNK-bcd487e9-9
0.248
MAT-POS-590ac91e-42
0.248
VLA-UNK-eaa804fd-3
0.248
CHA-MCP-85291e1d-3
0.248
MAR-TRE-8190bb11-58
0.248
ADA-UCB-6c2cb422-10
0.246
ADA-UCB-6c2cb422-11
0.246
VLA-UCB-34f3ed0c-13
0.246
MAT-POS-90fd5f68-15
0.246
MIC-UNK-cdc2493e-23
0.246
MIC-UNK-bcd487e9-5
0.246