Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12 |
MW: | 386.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.63 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-05819dc4-1
BEN-DND-b89db3f2-5
1.000
BEN-DND-7e92b6ca-2
0.734
EDJ-MED-edeb0d3a-3
0.636
ALP-POS-05819dc4-1
0.625
MAT-POS-590ac91e-43
0.596
ALP-POS-fc6c627f-3
0.546
MAT-POS-590ac91e-37
0.516
MAT-POS-916a2c5a-2
0.457
JAN-GHE-82a280f8-3
0.455
EDJ-MED-edeb0d3a-2
0.444
MAT-POS-3b536971-1
0.444
EDJ-MED-d1cd9639-1
0.444
ALP-POS-3fc1724e-1
0.430
ALP-POS-ddb41b15-4
0.430
NAU-LAT-a5c7d7cb-7
0.423
JAN-GHE-82a280f8-2
0.412
MAT-UCB-70f7c0f7-4
0.404
ALP-POS-ddb41b15-3
0.402
ERI-UCB-a0b0dbcb-9
0.398
DAR-DIA-8e329c92-6
0.396
MAR-UCB-f313ec4d-4
0.394
DAR-DIA-8e329c92-4
0.392
MAT-POS-54c4bf04-2
0.392
MAT-POS-590ac91e-42
0.392
DAR-DIA-8e329c92-5
0.390
ERI-UCB-a0b0dbcb-12
0.386
ALP-POS-3fc1724e-4
0.385
ERI-UCB-d6de1f3c-8
0.385
BEN-DND-7e92b6ca-13
0.384
MAT-POS-e1b5ac6b-2
0.380
MAT-POS-3b92565d-4
0.380
DAR-DIA-8e329c92-7
0.376
ERI-UCB-a0b0dbcb-6
0.375
ERI-UCB-a0b0dbcb-2
0.374
ERI-UCB-d6de1f3c-1
0.373
NAU-LAT-56d5284e-8
0.373
MAT-UCB-70f7c0f7-3
0.371
ERI-UCB-a0b0dbcb-11
0.371
ADA-UCB-b1b30a00-2
0.371
MAT-UCB-70f7c0f7-1
0.370
NAU-LAT-56d5284e-1
0.370
MAR-UCB-f313ec4d-1
0.370
JAN-GHE-82a280f8-1
0.369
BEN-DND-b89db3f2-4
0.368
BEN-DND-7e92b6ca-5
0.368
BEN-DND-7e92b6ca-3
0.367
NAU-LAT-56d5284e-5
0.366
VLA-UNK-eaa804fd-1
0.366
ALP-POS-ddb41b15-2
0.366
NAU-LAT-56d5284e-3
0.365
DAR-DIA-8e329c92-10
0.363
ERI-UCB-a0b0dbcb-1
0.362
MAT-POS-54c4bf04-4
0.362
NAU-LAT-56d5284e-6
0.356
NAU-LAT-56d5284e-2
0.353
VLA-UNK-eaa804fd-2
0.353
ERI-UCB-a0b0dbcb-8
0.352
ALP-POS-ddb41b15-10
0.351
ERI-UCB-d6de1f3c-3
0.350
MAR-UCB-f313ec4d-5
0.350
BEN-DND-7e92b6ca-12
0.350
VLA-UCB-eb340134-4
0.350
ERI-UCB-a0b0dbcb-5
0.349
ADA-UCB-6c2cb422-8
0.348
DAR-DIA-8e329c92-8
0.348
ERI-UCB-d6de1f3c-4
0.347
VLA-UCB-eb340134-2
0.346
KRI-MAR-d2e3ef86-5
0.343
BEN-DND-7e92b6ca-10
0.343
BEN-DND-7e92b6ca-11
0.343
KRI-MAR-d2e3ef86-13
0.343
JAG-UCB-c37fbdcd-1
0.343
ERI-UCB-ce40166b-19
0.342
MAT-POS-3b92565d-5
0.340
NAU-LAT-56d5284e-7
0.340
VLA-UCB-eb340134-1
0.340
ERI-UCB-ce40166b-14
0.339
ERI-UCB-ce40166b-16
0.339
ERI-UCB-ce40166b-18
0.339
ERI-UCB-ce40166b-20
0.339
BEN-DND-7e92b6ca-6
0.337
NAU-LAT-a5c7d7cb-9
0.337
JAG-UCB-c37fbdcd-2
0.336
ERI-UCB-ce40166b-17
0.336
ALP-POS-3fc1724e-2
0.336
MAR-UCB-d1255a91-1
0.333
VLA-UCB-eb340134-3
0.333
ADA-UCB-6c2cb422-11
0.330
MAT-UCB-70f7c0f7-2
0.330
MAR-UCB-d1255a91-2
0.330
ERI-UCB-ce40166b-15
0.330
ERI-UCB-ce40166b-13
0.330
ALP-POS-bea7b391-1
0.330
DAR-DIA-53551c05-17
0.330
ERI-UCB-a0b0dbcb-14
0.330
EDJ-MED-6af13d92-2
0.330
NAU-LAT-56d5284e-4
0.330
BEN-DND-7e92b6ca-4
0.330
EDJ-MED-6af13d92-3
0.327
ALP-UNI-ed5cdfd2-7
0.327