Molecular Properties | |
SMILES: | COc1ccccc1CO[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 |
MW: | 448.12 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.42 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-10
0.636
ADA-UCB-6c2cb422-8
0.569
MAT-POS-e1b5ac6b-2
0.485
MAT-POS-3b92565d-4
0.485
MAT-POS-e1b5ac6b-1
0.479
ROB-UNI-daaf9793-1
0.479
MAT-POS-3b92565d-5
0.455
MAR-UCB-f313ec4d-1
0.431
NAU-LAT-a5c7d7cb-9
0.423
ALP-POS-ddb41b15-1
0.409
MAT-POS-3b92565d-6
0.405
NAU-LAT-30527ac5-3
0.389
FRA-DIA-0fa076fe-3
0.377
MAT-UCB-93f6aed8-2
0.374
ALP-POS-fc6c627f-3
0.371
ALP-POS-05819dc4-1
0.369
NAU-LAT-30527ac5-6
0.368
FRA-DIA-0fa076fe-4
0.361
MAT-UCB-93f6aed8-1
0.361
FRA-DIA-e29753f2-1
0.354
NAU-LAT-b7d8c353-3
0.354
JAG-UCB-c61058a9-45
0.354
BEN-DND-b89db3f2-1
0.354
VLA-UCB-05e51b3f-18
0.354
VLA-UCB-50c39ae8-11
0.354
VLA-UNK-9a7dc93f-7
0.349
MAR-UCB-f313ec4d-4
0.349
JAN-GHE-82a280f8-3
0.342
MAT-POS-916a2c5a-2
0.339
DAR-DIA-8e329c92-6
0.339
DAR-DIA-8e329c92-4
0.336
DAR-DIA-8e329c92-8
0.333
ALP-POS-3fc1724e-1
0.333
BEN-DND-b89db3f2-5
0.330
EDJ-MED-edeb0d3a-1
0.330
ALP-POS-ddb41b15-4
0.328
ERI-UCB-a0b0dbcb-9
0.327
ADA-UCB-6c2cb422-9
0.325
DAR-DIA-8e329c92-5
0.325
NAU-LAT-a5c7d7cb-7
0.324
ERI-UCB-a0b0dbcb-6
0.322
EDJ-MED-d1cd9639-1
0.322
MAT-UCB-70f7c0f7-4
0.321
DAR-DIA-8e329c92-10
0.321
JAN-GHE-82a280f8-2
0.319
MAT-UCB-70f7c0f7-3
0.319
ERI-UCB-a0b0dbcb-2
0.318
ALP-POS-ddb41b15-2
0.317
NAU-LAT-56d5284e-6
0.316
BEN-DND-7e92b6ca-2
0.315
BEN-DND-7e92b6ca-13
0.315
DAR-DIA-8e329c92-7
0.314
ERI-UCB-a0b0dbcb-8
0.313
NAU-LAT-56d5284e-7
0.312
ADA-UNI-f8e79267-10
0.312
MAT-UCB-70f7c0f7-5
0.310
JIN-POS-6dc588a4-5
0.308
ADA-UCB-b1b30a00-2
0.308
NAU-LAT-56d5284e-8
0.307
ERI-UCB-a0b0dbcb-12
0.307
NAU-LAT-56d5284e-4
0.304
NAU-LAT-56d5284e-1
0.304
ALP-POS-ddb41b15-3
0.303
VLA-UCB-eb340134-1
0.302
NAU-LAT-56d5284e-3
0.302
NAU-LAT-56d5284e-2
0.301
NAU-LAT-56d5284e-5
0.301
ALP-POS-3fc1724e-4
0.301
ERI-UCB-a0b0dbcb-5
0.300
MAT-POS-54c4bf04-4
0.299
VLA-UCB-eb340134-4
0.298
MAT-UCB-70f7c0f7-1
0.298
DAR-DIA-8e329c92-9
0.297
ERI-UCB-d6de1f3c-8
0.297
VLA-UCB-eb340134-3
0.297
ERI-UCB-d6de1f3c-1
0.296
JAN-GHE-82a280f8-1
0.293
ALP-POS-75715966-3
0.292
MAT-POS-590ac91e-42
0.291
ADA-UNI-f8e79267-7
0.289
JAG-UCB-c37fbdcd-2
0.289
MAK-UNK-c749d764-6
0.289
MAK-UNK-ffc90da7-1
0.289
VLA-UCB-eb340134-2
0.286
MAR-UCB-d1255a91-2
0.285
JAG-UCB-c37fbdcd-1
0.283
ALP-POS-bea7b391-1
0.283
MAK-UNK-ffc90da7-7
0.283
EDJ-MED-ee07cf00-16
0.282
ALP-POS-19e898d3-1
0.281
KRI-MAR-d2e3ef86-13
0.281
EDJ-MED-cf4b0d25-4
0.281
BEN-DND-7e92b6ca-11
0.281
EDJ-MED-ee07cf00-15
0.280
MAT-POS-590ac91e-43
0.280
JIN-POS-6dc588a4-18
0.279
ALP-POS-ddb41b15-9
0.279
MAT-POS-de59a476-5
0.278
KRI-MAR-d2e3ef86-15
0.278
BEN-DND-7e92b6ca-4
0.278