Molecular Properties | |
SMILES: | COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)C1CC1 |
MW: | 378.16 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.42 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-8e329c92-6
0.675
DAR-DIA-8e329c92-5
0.655
DAR-DIA-8e329c92-7
0.626
DAR-DIA-8e329c92-8
0.594
MAT-POS-916a2c5a-2
0.588
MAT-UCB-70f7c0f7-4
0.557
MAT-UCB-70f7c0f7-3
0.543
ADA-UCB-b1b30a00-2
0.543
MAT-POS-590ac91e-40
0.516
MAT-POS-590ac91e-41
0.500
BEN-DND-7e92b6ca-2
0.500
MAR-UCB-f313ec4d-4
0.478
ERI-UCB-a0b0dbcb-9
0.467
ERI-UCB-a0b0dbcb-6
0.454
ALP-POS-05819dc4-1
0.454
ALP-POS-fc6c627f-3
0.451
ALP-POS-3fc1724e-1
0.439
MAR-UCB-f313ec4d-1
0.436
DAR-DIA-8e329c92-10
0.427
BEN-DND-7e92b6ca-5
0.422
ERI-UCB-a0b0dbcb-5
0.422
ADA-UCB-6c2cb422-8
0.419
MAT-POS-590ac91e-32
0.418
MAT-POS-590ac91e-42
0.414
ERI-UCB-a0b0dbcb-8
0.414
BEN-DND-7e92b6ca-13
0.406
MAT-UCB-70f7c0f7-1
0.404
ERI-UCB-ce40166b-13
0.400
MAT-POS-54c4bf04-1
0.398
ERI-UCB-ce40166b-14
0.396
BEN-DND-7e92b6ca-4
0.396
ADA-UCB-b1b30a00-1
0.394
EDJ-MED-edeb0d3a-1
0.392
BEN-DND-b89db3f2-5
0.392
ALP-UNI-ed5cdfd2-4
0.392
NAU-LAT-56d5284e-1
0.392
NAU-LAT-56d5284e-4
0.390
BEN-DND-7e92b6ca-3
0.389
ALP-POS-bea7b391-1
0.388
NAU-LAT-a5c7d7cb-7
0.388
ALP-UNI-ed5cdfd2-5
0.388
KRI-MAR-d2e3ef86-15
0.388
MAT-POS-590ac91e-38
0.382
MAT-POS-590ac91e-39
0.382
ERI-UCB-ce40166b-18
0.382
ERI-UCB-ce40166b-17
0.380
ALP-POS-3fc1724e-2
0.380
JAN-GHE-82a280f8-3
0.379
NAU-LAT-56d5284e-6
0.376
ALP-UNI-ed5cdfd2-7
0.375
ERI-UCB-ce40166b-15
0.374
EDJ-MED-6af13d92-3
0.374
NAU-LAT-56d5284e-7
0.374
MAT-UCB-70f7c0f7-2
0.373
DAR-DIA-8e329c92-9
0.371
ERI-UCB-ce40166b-16
0.370
ALP-POS-3fc1724e-4
0.367
KRI-MAR-d2e3ef86-12
0.364
MAT-POS-590ac91e-37
0.363
EDJ-MED-6af13d92-1
0.363
EDJ-MED-6af13d92-2
0.363
NAU-LAT-56d5284e-3
0.359
MAT-POS-590ac91e-43
0.359
ERI-UCB-ce40166b-20
0.357
EDJ-MED-d1cd9639-1
0.356
NAU-LAT-56d5284e-8
0.353
ALP-UNI-ed5cdfd2-6
0.353
ERI-UCB-a0b0dbcb-11
0.352
JAN-GHE-82a280f8-2
0.352
KRI-MAR-d2e3ef86-13
0.350
BEN-DND-7e92b6ca-11
0.350
ALP-UNI-ed5cdfd2-8
0.347
ERI-UCB-ce40166b-25
0.346
DAR-DIA-8e329c92-11
0.346
MAR-UCB-f313ec4d-5
0.343
BEN-DND-7e92b6ca-12
0.343
EDJ-MED-bbe8e3da-2
0.343
ERI-UCB-a0b0dbcb-2
0.340
ERI-UCB-d6de1f3c-8
0.340
DAR-DIA-8e329c92-12
0.339
ALP-POS-ddb41b15-4
0.336
ADA-UCB-6c2cb422-11
0.336
ERI-UCB-ce40166b-19
0.336
DAR-DIA-8e329c92-13
0.336
BEN-DND-7e92b6ca-9
0.333
NAU-LAT-56d5284e-2
0.333
ERI-UCB-a0b0dbcb-1
0.330
MAT-POS-35d3f55a-2
0.330
BEN-DND-7e92b6ca-6
0.330
VLA-UCB-eb340134-3
0.327
MAK-UNK-df1a028e-3
0.327
BEN-DND-7e92b6ca-14
0.327
ALP-POS-ddb41b15-1
0.325
BEN-DND-7e92b6ca-15
0.324
KRI-MAR-d2e3ef86-5
0.323
BEN-DND-7e92b6ca-10
0.323
VLA-UCB-eb340134-1
0.321
MAT-POS-916a2c5a-4
0.320
EDJ-MED-78f964c8-1
0.320
DAR-DIA-53551c05-22
0.320