Molecular Properties | |
SMILES: | O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21 |
MW: | 428.06 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 87.31 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
phthalimide
Filter41_12_dicarbonyl
Ketone
DAR-DIA-53551c05-15
0.650
DAR-DIA-53551c05-20
0.631
DAR-DIA-53551c05-22
0.598
DAR-DIA-53551c05-18
0.531
ERI-UCB-d6de1f3c-1
0.469
ERI-UCB-a0b0dbcb-2
0.457
NAU-LAT-56d5284e-5
0.448
NAU-LAT-56d5284e-2
0.448
VLA-UCB-eb340134-4
0.443
ERI-UCB-d6de1f3c-8
0.436
JAN-GHE-82a280f8-1
0.434
MAT-POS-54c4bf04-4
0.426
NAU-LAT-56d5284e-8
0.424
ERI-UCB-a0b0dbcb-12
0.424
VLA-UCB-eb340134-1
0.416
NAU-LAT-56d5284e-3
0.416
MAR-UCB-d1255a91-2
0.415
VLA-UCB-eb340134-3
0.408
VLA-UCB-eb340134-2
0.408
MAR-UCB-d1255a91-1
0.404
EDJ-MED-d1cd9639-1
0.398
NAU-LAT-56d5284e-1
0.394
NAU-LAT-56d5284e-6
0.392
NAU-LAT-56d5284e-7
0.390
DAR-DIA-53551c05-12
0.388
ERI-UCB-d6de1f3c-3
0.383
ERI-UCB-d6de1f3c-4
0.379
NAU-LAT-56d5284e-4
0.379
BEN-DND-7e92b6ca-6
0.376
NAU-LAT-a5c7d7cb-7
0.376
DAR-DIA-53551c05-14
0.375
ERI-UCB-a0b0dbcb-3
0.373
BEN-DND-7e92b6ca-10
0.367
KRI-MAR-d2e3ef86-5
0.367
BEN-DND-7e92b6ca-16
0.367
BEN-DND-7e92b6ca-13
0.366
EDJ-MED-78f964c8-1
0.365
MAT-POS-916a2c5a-4
0.365
BEN-DND-7e92b6ca-9
0.363
KRI-MAR-d2e3ef86-7
0.363
BEN-DND-7e92b6ca-7
0.360
BEN-DND-7e92b6ca-14
0.357
ERI-UCB-a0b0dbcb-4
0.356
KRI-MAR-d2e3ef86-4
0.356
MAT-POS-916a2c5a-3
0.356
JAN-GHE-82a280f8-3
0.355
BEN-DND-7e92b6ca-15
0.353
ERI-UCB-a0b0dbcb-14
0.352
BEN-DND-7e92b6ca-12
0.346
MAR-UCB-f313ec4d-5
0.346
ERI-UCB-a0b0dbcb-10
0.346
ALP-POS-05819dc4-1
0.346
ERI-UCB-a0b0dbcb-1
0.346
MAK-UNK-df1a028e-3
0.343
JAN-GHE-82a280f8-2
0.343
ERI-UCB-a0b0dbcb-13
0.343
ERI-UCB-a0b0dbcb-7
0.342
BEN-DND-7e92b6ca-11
0.340
ERI-UCB-a0b0dbcb-9
0.340
KRI-MAR-d2e3ef86-13
0.340
KRI-MAR-d2e3ef86-6
0.340
ALP-POS-bea7b391-1
0.339
MAK-UNK-df1a028e-2
0.339
NAU-LAT-b0463c38-9
0.337
ALP-POS-fc6c627f-3
0.336
DAR-DIA-53551c05-16
0.336
ALP-POS-3fc1724e-3
0.333
ALP-POS-3fc1724e-4
0.333
ERI-UCB-a0b0dbcb-11
0.330
EDJ-MED-edeb0d3a-1
0.330
BEN-DND-b89db3f2-5
0.330
DAR-DIA-53551c05-3
0.330
ALP-POS-ddb41b15-1
0.328
KRI-MAR-d2e3ef86-12
0.327
DAR-DIA-53551c05-21
0.327
ALP-POS-ddb41b15-3
0.325
ERI-UCB-a0b0dbcb-8
0.324
BEN-DND-7e92b6ca-5
0.323
ALP-POS-3fc1724e-1
0.321
ERI-UCB-a0b0dbcb-6
0.321
ERI-UCB-ce40166b-21
0.319
NAU-LAT-b0463c38-1
0.317
ALP-POS-ddb41b15-2
0.316
ALP-POS-ddb41b15-4
0.316
DAR-DIA-8e329c92-6
0.315
ALP-POS-ddb41b15-5
0.314
BEN-DND-7e92b6ca-4
0.313
ALP-UNI-ed5cdfd2-7
0.311
BEN-DND-7e92b6ca-3
0.311
MAT-POS-e1b5ac6b-1
0.310
ROB-UNI-daaf9793-1
0.310
ERI-UCB-a0b0dbcb-5
0.310
DAR-DIA-8e329c92-10
0.308
DAR-DIA-8e329c92-9
0.308
MAT-UCB-70f7c0f7-1
0.307
ALP-UNI-ed5cdfd2-6
0.306
ADA-UCB-b1b30a00-1
0.306
ERI-UCB-ce40166b-19
0.305
ALP-UNI-ed5cdfd2-4
0.302
MAT-POS-916a2c5a-2
0.302