Molecular Properties | |
SMILES: | COc1ccccc1OC[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: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-9
0.577
ADA-UCB-6c2cb422-10
0.569
ADA-UCB-6c2cb422-11
0.569
MAR-UCB-f313ec4d-1
0.548
MAT-POS-e1b5ac6b-1
0.522
ROB-UNI-daaf9793-1
0.522
MAT-POS-e1b5ac6b-2
0.465
MAT-POS-3b92565d-4
0.465
NAU-LAT-a5c7d7cb-9
0.460
MAT-POS-3b92565d-5
0.450
DAR-DIA-8e329c92-6
0.437
ALP-POS-fc6c627f-3
0.427
DAR-DIA-8e329c92-4
0.419
DAR-DIA-8e329c92-5
0.417
DAR-DIA-8e329c92-7
0.402
MAT-POS-3b92565d-6
0.400
MAT-POS-916a2c5a-2
0.398
DAR-DIA-8e329c92-8
0.397
MAT-UCB-93f6aed8-2
0.393
ALP-POS-05819dc4-1
0.376
FRA-DIA-0fa076fe-3
0.371
BEN-DND-7e92b6ca-2
0.371
NAU-LAT-30527ac5-3
0.370
ALP-POS-ddb41b15-1
0.368
MAT-UCB-93f6aed8-1
0.367
FRA-DIA-0fa076fe-4
0.355
MAT-POS-590ac91e-42
0.355
JIN-POS-6dc588a4-5
0.354
MAT-UCB-70f7c0f7-4
0.352
MAT-POS-590ac91e-41
0.351
NAU-LAT-30527ac5-6
0.350
MAT-UCB-70f7c0f7-3
0.348
ADA-UCB-b1b30a00-2
0.348
VLA-UCB-05e51b3f-18
0.348
BEN-DND-b89db3f2-5
0.348
VLA-UCB-50c39ae8-11
0.348
EDJ-MED-edeb0d3a-1
0.348
BEN-DND-b89db3f2-1
0.348
NAU-LAT-b7d8c353-3
0.348
FRA-DIA-e29753f2-1
0.348
JAG-UCB-c61058a9-45
0.348
MAT-POS-590ac91e-43
0.342
MAT-POS-590ac91e-40
0.339
ERI-UCB-a0b0dbcb-9
0.333
ALP-POS-ddb41b15-4
0.333
MIC-UNK-c66144cb-2
0.330
MAR-UCB-f313ec4d-4
0.330
MAT-UCB-70f7c0f7-5
0.327
ALP-POS-3fc1724e-1
0.327
JOH-UNI-ee5ed7c8-6
0.327
JOH-UNI-3fc3434e-6
0.327
ERI-UCB-a0b0dbcb-8
0.319
ERI-UCB-ce40166b-25
0.319
EDJ-MED-6af13d92-3
0.318
NAU-LAT-a5c7d7cb-7
0.318
MIC-UNK-c66144cb-1
0.316
ERI-UCB-a0b0dbcb-6
0.316
DAR-DIA-8e329c92-10
0.315
EDG-MED-0da5ad92-5
0.314
JAN-GHE-83b26c96-1
0.314
MAT-UCB-70f7c0f7-1
0.314
JAN-GHE-82a280f8-2
0.313
JAN-GHE-82a280f8-3
0.313
JIN-POS-6dc588a4-23
0.311
ADA-UNI-f8e79267-11
0.311
ALP-POS-a3de0cb1-14
0.310
MIC-UNK-50cce87d-4
0.308
RUB-POS-1325a9ea-9
0.308
VLA-UNK-9a7dc93f-7
0.306
EDJ-MED-d1cd9639-1
0.304
MAK-UNK-f203cb68-3
0.303
ERI-UCB-d6de1f3c-8
0.302
NAU-LAT-56d5284e-8
0.301
ERI-UCB-a0b0dbcb-12
0.301
MIC-UNK-c66144cb-3
0.300
ALP-POS-3b848b35-4
0.300
JAN-GHE-83b26c96-8
0.299
KEI-TRE-fa9ada3e-3
0.299
MAT-POS-590ac91e-32
0.298
EDJ-MED-6af13d92-1
0.298
EDJ-MED-6af13d92-2
0.298
ALP-POS-ddb41b15-3
0.298
BEN-DND-7e92b6ca-13
0.297
ADA-UNI-f8e79267-8
0.297
NAU-LAT-56d5284e-1
0.297
ALP-POS-75715966-3
0.297
JIN-POS-6dc588a4-18
0.296
MAT-POS-590ac91e-54
0.295
NAU-LAT-56d5284e-7
0.295
MAT-POS-3b536971-1
0.293
EDJ-MED-edeb0d3a-2
0.293
MAT-POS-35d3f55a-2
0.292
ALP-POS-3fc1724e-8
0.292
ALP-POS-ddb41b15-2
0.290
ERI-UCB-a0b0dbcb-2
0.288
MAK-UNK-ffc90da7-7
0.288
NAU-LAT-56d5284e-6
0.287
NAU-LAT-56d5284e-4
0.287
MAT-POS-590ac91e-37
0.287
EDJ-MED-ee07cf00-16
0.287