Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CC(=O)N(c2cccc(Cl)c2)C(CC2CCCCC2)C1 |
MW: | 477.18 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.48 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
ERI-UCB-d6de1f3c-4
0.696
ERI-UCB-d6de1f3c-8
0.663
ERI-UCB-d6de1f3c-5
0.638
ERI-UCB-d6de1f3c-1
0.510
ERI-UCB-a0b0dbcb-2
0.500
MAT-POS-54c4bf04-4
0.481
NAU-LAT-56d5284e-5
0.476
NAU-LAT-56d5284e-2
0.476
JAN-GHE-82a280f8-1
0.462
NAU-LAT-56d5284e-3
0.458
NAU-LAT-56d5284e-8
0.453
ERI-UCB-a0b0dbcb-12
0.453
VLA-UCB-eb340134-4
0.443
VLA-UCB-eb340134-3
0.436
MIC-UNK-02d7a284-3
0.424
NAU-LAT-56d5284e-6
0.422
ERI-UCB-d6de1f3c-6
0.421
VLA-UCB-eb340134-1
0.418
MAT-POS-916a2c5a-4
0.412
EDJ-MED-78f964c8-1
0.412
NAU-LAT-56d5284e-1
0.411
NAU-LAT-56d5284e-7
0.407
MAR-UCB-d1255a91-2
0.405
EDJ-MED-d1cd9639-1
0.402
BEN-DND-7e92b6ca-15
0.398
NAU-LAT-56d5284e-4
0.396
MAR-UCB-d1255a91-1
0.395
ERI-UCB-a0b0dbcb-3
0.391
MAR-UCB-f313ec4d-5
0.391
BEN-DND-7e92b6ca-12
0.391
BEN-DND-7e92b6ca-14
0.390
ERI-UCB-a0b0dbcb-6
0.389
ERI-UCB-a0b0dbcb-4
0.387
KRI-MAR-d2e3ef86-5
0.387
BEN-DND-7e92b6ca-10
0.387
ERI-UCB-a0b0dbcb-9
0.385
ERI-UCB-ce40166b-21
0.385
DAR-DIA-53551c05-17
0.383
BEN-DND-7e92b6ca-6
0.382
ERI-UCB-a0b0dbcb-10
0.377
ERI-UCB-d6de1f3c-7
0.377
ERI-UCB-a0b0dbcb-1
0.377
VLA-UCB-eb340134-2
0.374
JAN-GHE-82a280f8-2
0.374
JAN-GHE-82a280f8-3
0.374
BEN-DND-7e92b6ca-16
0.374
ERI-UCB-a0b0dbcb-7
0.373
BEN-DND-7e92b6ca-11
0.373
KRI-MAR-d2e3ef86-13
0.373
BEN-DND-7e92b6ca-13
0.373
ERI-UCB-a0b0dbcb-14
0.372
KRI-MAR-d2e3ef86-6
0.372
ALP-POS-bea7b391-1
0.371
KRI-MAR-d2e3ef86-7
0.369
ERI-UCB-a0b0dbcb-5
0.364
MAK-UNK-df1a028e-3
0.364
ERI-UCB-a0b0dbcb-13
0.362
ERI-UCB-a0b0dbcb-11
0.362
MAT-UCB-93f6aed8-2
0.358
BEN-DND-7e92b6ca-9
0.357
ERI-UCB-a0b0dbcb-8
0.357
BEN-DND-7e92b6ca-7
0.355
ALP-POS-3fc1724e-3
0.354
ALP-POS-3fc1724e-4
0.352
BEN-DND-b89db3f2-5
0.350
EDJ-MED-edeb0d3a-1
0.350
DAR-DIA-53551c05-22
0.346
ALP-POS-05819dc4-1
0.342
DAR-DIA-53551c05-20
0.339
KRI-MAR-d2e3ef86-4
0.339
MAT-POS-916a2c5a-3
0.339
NAU-LAT-a5c7d7cb-7
0.333
ALP-POS-fc6c627f-3
0.323
ALP-POS-ddb41b15-3
0.323
DAR-DIA-53551c05-15
0.319
ALP-POS-ddb41b15-2
0.315
ALP-POS-ddb41b15-4
0.315
MAK-UNK-df1a028e-2
0.314
ALP-UNI-ed5cdfd2-4
0.313
KRI-MAR-d2e3ef86-12
0.313
DAR-DIA-8e329c92-9
0.307
MAT-UCB-70f7c0f7-1
0.306
ADA-UCB-b1b30a00-2
0.306
MAT-POS-3b536971-2
0.303
DAR-DIA-8e329c92-4
0.300
ERI-UCB-ce40166b-17
0.299
MAT-POS-590ac91e-54
0.299
ALP-POS-3fc1724e-2
0.299
KRI-MAR-d2e3ef86-15
0.299
MAT-UCB-70f7c0f7-5
0.298
ROB-UNI-daaf9793-1
0.297
MAT-POS-e1b5ac6b-1
0.297
MAT-POS-54c4bf04-1
0.297
MAT-UCB-70f7c0f7-4
0.297
MAT-UCB-93f6aed8-1
0.295
MAT-UCB-70f7c0f7-3
0.295
ALP-POS-ddb41b15-1
0.295
ADA-UCB-b1b30a00-1
0.294
ERI-UCB-ce40166b-13
0.294
ERI-UCB-ce40166b-18
0.292