Molecular Properties | |
SMILES: | O=C(Nc1cc(=O)[nH]c2ccccc12)[C@H]1COc2c(Cl)cc(O)cc21 |
MW: | 356.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 91.42 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
FRA-DIA-e29753f2-1
FRA-DIA-0fa076fe-4
0.724
FRA-DIA-0fa076fe-2
0.560
FRA-DIA-e29753f2-1
0.539
NAU-LAT-b7d8c353-3
0.539
JAG-UCB-c61058a9-45
0.539
BEN-DND-b89db3f2-1
0.539
VLA-UCB-05e51b3f-18
0.539
VLA-UCB-50c39ae8-11
0.539
MAT-POS-e1b5ac6b-1
0.447
ROB-UNI-daaf9793-1
0.447
MAT-POS-3b92565d-6
0.429
NAU-LAT-30527ac5-3
0.426
MAT-POS-3b92565d-5
0.424
MAT-POS-e1b5ac6b-2
0.409
MAT-POS-3b92565d-4
0.409
FRA-DIA-b66f7109-2
0.390
NAU-LAT-a5c7d7cb-9
0.389
MAT-UCB-93f6aed8-2
0.379
ADA-UCB-6c2cb422-11
0.377
MAT-UCB-70f7c0f7-5
0.374
ADA-UCB-6c2cb422-8
0.371
MAR-UCB-f313ec4d-1
0.368
ADA-UCB-6c2cb422-10
0.364
FRA-DIA-0fa076fe-1
0.362
FRA-DIA-c7e803f4-1
0.362
NAU-LAT-30527ac5-6
0.358
MAR-UCB-6ab2ec87-4
0.357
MAT-UCB-93f6aed8-1
0.351
JAG-UCB-c61058a9-46
0.346
JUL-TUD-06b2044f-103
0.311
RAL-THA-05e671eb-16
0.308
ALP-UNI-3735e77e-2
0.308
MAT-POS-54c4bf04-1
0.307
FRA-DIA-b66f7109-3
0.304
ALP-POS-bea7b391-1
0.302
NAU-LAT-56d5284e-6
0.301
MAR-TRE-92684b97-53
0.298
EDJ-MED-12c115cc-1
0.297
MAT-POS-f7918075-2
0.297
MAT-POS-bbbbc21a-2
0.297
NAU-LAT-56d5284e-7
0.297
EDJ-MED-12c115cc-2
0.297
VLA-UNK-9a7dc93f-3
0.292
MAT-UCB-70f7c0f7-2
0.292
NAU-LAT-56d5284e-8
0.291
ALF-EVA-b701bd13-6
0.290
ALP-POS-869ac754-1
0.288
RYA-UNI-6d7114fd-1
0.288
RAL-THA-05e671eb-2
0.288
NAU-LAT-56d5284e-4
0.288
NAU-LAT-56d5284e-1
0.287
ALP-POS-fe871b40-5
0.286
PET-UNK-c0891748-8
0.286
EDJ-MED-12f7f543-1
0.286
RAL-THA-05e671eb-25
0.286
MIC-UNK-8758c41d-2
0.286
PET-UNK-c0891748-2
0.286
RAL-THA-05e671eb-21
0.284
NAU-LAT-a5c7d7cb-7
0.284
NAU-LAT-56d5284e-2
0.284
EDJ-MED-e4b030d8-4
0.283
ALP-POS-05819dc4-1
0.283
EDJ-MED-ba7e64f2-2
0.283
ALP-POS-3fc1724e-1
0.283
JOH-UNI-f51e3bbc-1
0.283
ALP-UNI-c3ef0aba-1
0.282
ALF-EVA-b701bd13-4
0.282
BEN-DND-7e92b6ca-5
0.281
JAN-GHE-82a280f8-2
0.280
ALP-POS-ce760d3f-1
0.280
MAT-POS-916a2c5a-3
0.279
KRI-MAR-d2e3ef86-4
0.279
ERI-UCB-ce40166b-18
0.278
RAL-THA-05e671eb-10
0.278
ALP-POS-d91e0300-1
0.278
MAT-POS-a13804f0-3
0.278
BEN-BAS-c2bc0d80-5
0.278
RAL-THA-05e671eb-9
0.278
ALP-POS-fe871b40-9
0.278
MAT-POS-a13804f0-2
0.278
ERI-UCB-a0b0dbcb-2
0.277
MAK-UNK-df1a028e-3
0.277
BEN-DND-7e92b6ca-6
0.277
BEN-BAS-c2bc0d80-2
0.276
KRI-MAR-d2e3ef86-12
0.275
ALP-POS-3fc1724e-2
0.274
ERI-UCB-ce40166b-17
0.274
ERI-UCB-a0b0dbcb-8
0.274
ALP-UNI-3735e77e-4
0.274
NAU-LAT-56d5284e-3
0.274
VLA-UCB-eb340134-1
0.274
ALP-UNI-c3ef0aba-2
0.274
MAT-POS-f9802937-9
0.274
BEN-DND-f2e727cd-4
0.274
MAT-POS-f9802937-8
0.274
MAT-POS-78e1d523-6
0.274
MAT-POS-78e1d523-5
0.274
DAR-DIA-6a508060-5
0.274
VLA-UNK-8e76d113-2
0.273
EDJ-MED-e4b030d8-5
0.273