Molecular Properties | |
SMILES: | O=C(COc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1 |
MW: | 396.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.47 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
JAN-GHE-82a280f8-2
0.636
NAU-LAT-a5c7d7cb-7
0.551
BEN-DND-b89db3f2-5
0.455
EDJ-MED-edeb0d3a-1
0.455
ALP-POS-fc6c627f-3
0.442
ALP-POS-ddb41b15-4
0.430
NAU-LAT-56d5284e-6
0.424
NAU-LAT-56d5284e-2
0.423
ERI-UCB-ce40166b-13
0.419
NAU-LAT-a5c7d7cb-9
0.418
ALP-POS-05819dc4-1
0.416
ERI-UCB-ce40166b-14
0.415
BEN-DND-7e92b6ca-5
0.413
BEN-DND-7e92b6ca-2
0.412
NAU-LAT-56d5284e-1
0.412
VLA-UCB-eb340134-3
0.412
ALP-POS-3fc1724e-2
0.411
ERI-UCB-ce40166b-17
0.411
VLA-UCB-eb340134-1
0.406
VLA-UCB-eb340134-4
0.404
ALP-POS-ddb41b15-3
0.402
ERI-UCB-a0b0dbcb-12
0.400
ERI-UCB-ce40166b-18
0.400
ERI-UCB-d6de1f3c-1
0.400
NAU-LAT-56d5284e-8
0.400
ERI-UCB-d6de1f3c-8
0.398
JAN-GHE-82a280f8-1
0.396
NAU-LAT-56d5284e-4
0.396
ALP-POS-bea7b391-1
0.394
NAU-LAT-56d5284e-7
0.394
NAU-LAT-56d5284e-3
0.392
ALP-POS-ddb41b15-2
0.391
MAT-POS-54c4bf04-4
0.388
ERI-UCB-a0b0dbcb-2
0.388
MAT-POS-916a2c5a-2
0.384
NAU-LAT-56d5284e-5
0.380
ERI-UCB-ce40166b-15
0.380
DAR-DIA-8e329c92-4
0.379
ERI-UCB-ce40166b-19
0.378
MAT-POS-54c4bf04-1
0.376
DAR-DIA-8e329c92-10
0.376
ERI-UCB-ce40166b-16
0.376
ALP-POS-3fc1724e-1
0.375
EDJ-MED-d1cd9639-1
0.375
ERI-UCB-ce40166b-20
0.375
ERI-UCB-d6de1f3c-3
0.374
ERI-UCB-d6de1f3c-4
0.371
MAT-UCB-70f7c0f7-1
0.370
MAR-UCB-f313ec4d-4
0.366
MAT-UCB-70f7c0f7-4
0.363
MAT-UCB-70f7c0f7-3
0.358
ADA-UCB-b1b30a00-2
0.358
VLA-UCB-eb340134-2
0.358
BEN-DND-7e92b6ca-4
0.358
DAR-DIA-53551c05-17
0.355
MAR-UCB-d1255a91-2
0.355
MAT-POS-e1b5ac6b-1
0.354
ROB-UNI-daaf9793-1
0.354
BEN-DND-7e92b6ca-3
0.354
ALP-POS-ddb41b15-10
0.351
DAR-DIA-8e329c92-9
0.350
ADA-UCB-b1b30a00-1
0.346
ERI-UCB-a0b0dbcb-11
0.346
MAR-UCB-d1255a91-1
0.345
ALP-POS-f13221e1-2
0.343
ERI-UCB-a0b0dbcb-9
0.343
DAR-DIA-8e329c92-6
0.343
ADA-UCB-6c2cb422-11
0.342
MAT-UCB-70f7c0f7-2
0.342
ALP-UNI-ed5cdfd2-7
0.340
DAR-DIA-8e329c92-5
0.339
BEN-DND-7e92b6ca-12
0.337
MAR-UCB-f313ec4d-5
0.337
ERI-UCB-a0b0dbcb-1
0.336
ERI-UCB-a0b0dbcb-6
0.336
ALP-POS-3fc1724e-4
0.336
UNK-UNK-2ede4078-28
0.333
ERI-UCB-ce40166b-21
0.333
ALP-POS-ddb41b15-1
0.330
MAT-UCB-93f6aed8-2
0.330
ERI-UCB-a0b0dbcb-14
0.330
NAU-LAT-a5c7d7cb-8
0.330
BEN-DND-7e92b6ca-13
0.330
KRI-MAR-d2e3ef86-5
0.330
BEN-DND-7e92b6ca-10
0.330
DAR-DIA-8e329c92-7
0.327
MAT-POS-590ac91e-43
0.327
DAR-DIA-8e329c92-11
0.327
DAR-DIA-8e329c92-8
0.325
ERI-UCB-a0b0dbcb-5
0.324
ERI-UCB-a0b0dbcb-3
0.324
BEN-DND-7e92b6ca-6
0.323
DAR-DIA-53551c05-15
0.323
ERI-UCB-a0b0dbcb-13
0.321
ADA-UCB-6c2cb422-10
0.319
KRI-MAR-d2e3ef86-12
0.317
KRI-MAR-d2e3ef86-13
0.317
BEN-DND-7e92b6ca-11
0.317
ALP-POS-75715966-3
0.315
ERI-UCB-a0b0dbcb-8
0.315