Molecular Properties | |
SMILES: | O=C(CCc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1 |
MW: | 394.11 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 70.24 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
JAN-GHE-82a280f8-3
0.636
ALP-POS-ddb41b15-4
0.471
ERI-UCB-a0b0dbcb-12
0.458
VLA-UCB-eb340134-3
0.440
VLA-UCB-eb340134-1
0.434
ALP-POS-fc6c627f-3
0.429
NAU-LAT-56d5284e-8
0.429
ALP-POS-ddb41b15-3
0.429
NAU-LAT-56d5284e-6
0.424
NAU-LAT-a5c7d7cb-7
0.423
NAU-LAT-56d5284e-2
0.423
ALP-POS-bea7b391-1
0.422
ERI-UCB-d6de1f3c-1
0.414
NAU-LAT-56d5284e-1
0.412
EDJ-MED-edeb0d3a-1
0.412
BEN-DND-b89db3f2-5
0.412
NAU-LAT-56d5284e-4
0.410
NAU-LAT-56d5284e-7
0.408
NAU-LAT-56d5284e-3
0.406
VLA-UCB-eb340134-4
0.404
ALP-POS-05819dc4-1
0.402
ERI-UCB-d6de1f3c-8
0.398
ROB-UNI-daaf9793-1
0.398
MAT-POS-e1b5ac6b-1
0.398
JAN-GHE-82a280f8-1
0.396
BEN-DND-7e92b6ca-3
0.396
NAU-LAT-56d5284e-5
0.394
ALP-POS-ddb41b15-2
0.391
MAT-POS-54c4bf04-1
0.390
ALP-POS-3fc1724e-1
0.388
ERI-UCB-a0b0dbcb-2
0.388
VLA-UCB-eb340134-2
0.385
DAR-DIA-8e329c92-9
0.378
ALP-POS-75715966-3
0.377
MAT-POS-54c4bf04-4
0.375
ERI-UCB-d6de1f3c-3
0.374
ERI-UCB-ce40166b-17
0.373
ALP-POS-3fc1724e-2
0.373
BEN-DND-7e92b6ca-4
0.372
MAT-POS-916a2c5a-2
0.370
BEN-DND-7e92b6ca-2
0.370
BEN-DND-7e92b6ca-5
0.368
ERI-UCB-ce40166b-18
0.363
ADA-UCB-b1b30a00-1
0.359
ERI-UCB-d6de1f3c-4
0.359
MAT-UCB-70f7c0f7-1
0.358
KRI-MAR-d2e3ef86-5
0.357
BEN-DND-7e92b6ca-10
0.357
MAR-UCB-d1255a91-2
0.355
ERI-UCB-ce40166b-13
0.355
MAR-UCB-f313ec4d-4
0.353
DAR-DIA-8e329c92-4
0.352
ERI-UCB-ce40166b-14
0.351
ALP-POS-ddb41b15-10
0.351
MAT-UCB-70f7c0f7-4
0.350
EDJ-MED-d1cd9639-1
0.349
ERI-UCB-a0b0dbcb-13
0.346
MAR-UCB-d1255a91-1
0.345
ERI-UCB-a0b0dbcb-14
0.343
DAR-DIA-8e329c92-6
0.343
DAR-DIA-53551c05-17
0.343
ERI-UCB-ce40166b-19
0.342
ALP-UNI-ed5cdfd2-7
0.340
DAR-DIA-8e329c92-11
0.340
DAR-DIA-8e329c92-10
0.337
MAT-UCB-70f7c0f7-3
0.333
ERI-UCB-a0b0dbcb-7
0.333
ERI-UCB-a0b0dbcb-11
0.333
DAR-DIA-8e329c92-12
0.333
ADA-UCB-b1b30a00-2
0.333
ALP-POS-19e898d3-2
0.330
MAT-UCB-70f7c0f7-2
0.330
ALP-POS-ddb41b15-1
0.330
ERI-UCB-ce40166b-15
0.330
MAT-UCB-93f6aed8-2
0.330
ERI-UCB-a0b0dbcb-9
0.330
ERI-UCB-ce40166b-20
0.328
ERI-UCB-ce40166b-16
0.327
MAT-POS-590ac91e-51
0.327
ERI-UCB-a0b0dbcb-8
0.327
ALP-POS-3fc1724e-4
0.325
ERI-UCB-a0b0dbcb-6
0.324
ERI-UCB-a0b0dbcb-10
0.324
NAU-LAT-a5c7d7cb-9
0.324
BEN-DND-7e92b6ca-6
0.323
MAT-POS-590ac91e-55
0.321
ADA-UCB-6c2cb422-11
0.319
ALP-UNI-ed5cdfd2-4
0.317
BEN-DND-7e92b6ca-13
0.317
DAR-DIA-8e329c92-5
0.315
KRI-MAR-d2e3ef86-7
0.314
ALP-POS-fc6c627f-1
0.314
DAR-DIA-8e329c92-8
0.314
EDJ-MED-78f964c8-1
0.313
MAT-POS-916a2c5a-4
0.313
DAR-DIA-53551c05-22
0.313
ADA-UCB-6c2cb422-8
0.313
ERI-UCB-a0b0dbcb-5
0.312
ERI-UCB-a0b0dbcb-1
0.312
ALP-POS-f13221e1-3
0.310