Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CC(=O)N(c2cccc(Cl)c2)C(CN2CCCCC2)C1 |
MW: | 478.18 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.72 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
ERI-UCB-d6de1f3c-3
0.696
ERI-UCB-d6de1f3c-8
0.656
ERI-UCB-d6de1f3c-6
0.632
ERI-UCB-d6de1f3c-1
0.535
ERI-UCB-a0b0dbcb-2
0.510
MAT-POS-54c4bf04-4
0.491
NAU-LAT-56d5284e-5
0.485
ERI-UCB-a0b0dbcb-12
0.476
JAN-GHE-82a280f8-1
0.472
NAU-LAT-56d5284e-2
0.471
NAU-LAT-56d5284e-3
0.454
VLA-UCB-eb340134-4
0.453
NAU-LAT-56d5284e-8
0.449
NAU-LAT-56d5284e-1
0.434
VLA-UCB-eb340134-3
0.432
ERI-UCB-d6de1f3c-5
0.430
MIC-UNK-02d7a284-3
0.420
ERI-UCB-a0b0dbcb-14
0.418
NAU-LAT-56d5284e-6
0.418
NAU-LAT-56d5284e-7
0.417
MAR-UCB-d1255a91-1
0.415
VLA-UCB-eb340134-1
0.414
MAR-UCB-d1255a91-2
0.414
EDJ-MED-d1cd9639-1
0.411
BEN-DND-7e92b6ca-10
0.410
KRI-MAR-d2e3ef86-5
0.410
MAT-POS-916a2c5a-4
0.408
EDJ-MED-78f964c8-1
0.408
BEN-DND-7e92b6ca-6
0.406
NAU-LAT-56d5284e-4
0.405
MAR-UCB-f313ec4d-5
0.400
ERI-UCB-a0b0dbcb-3
0.400
BEN-DND-7e92b6ca-12
0.400
ERI-UCB-a0b0dbcb-11
0.395
BEN-DND-7e92b6ca-13
0.394
BEN-DND-7e92b6ca-15
0.394
KRI-MAR-d2e3ef86-6
0.393
BEN-DND-7e92b6ca-14
0.387
ERI-UCB-a0b0dbcb-1
0.386
ERI-UCB-a0b0dbcb-10
0.386
ERI-UCB-a0b0dbcb-6
0.386
ERI-UCB-a0b0dbcb-4
0.384
ALP-POS-3fc1724e-4
0.383
BEN-DND-7e92b6ca-16
0.383
ERI-UCB-a0b0dbcb-13
0.383
VLA-UCB-eb340134-2
0.383
ERI-UCB-a0b0dbcb-9
0.382
ERI-UCB-ce40166b-21
0.381
DAR-DIA-53551c05-17
0.379
ALP-POS-3fc1724e-3
0.375
ERI-UCB-d6de1f3c-7
0.374
JAN-GHE-82a280f8-3
0.371
ERI-UCB-a0b0dbcb-7
0.370
KRI-MAR-d2e3ef86-13
0.369
BEN-DND-7e92b6ca-11
0.369
KRI-MAR-d2e3ef86-7
0.366
BEN-DND-7e92b6ca-9
0.366
BEN-DND-7e92b6ca-7
0.364
ERI-UCB-a0b0dbcb-5
0.361
MAK-UNK-df1a028e-3
0.360
JAN-GHE-82a280f8-2
0.359
ERI-UCB-a0b0dbcb-8
0.353
MAT-POS-916a2c5a-3
0.348
KRI-MAR-d2e3ef86-4
0.348
BEN-DND-b89db3f2-5
0.347
EDJ-MED-edeb0d3a-1
0.347
KRI-MAR-d2e3ef86-12
0.345
ALP-POS-bea7b391-1
0.345
DAR-DIA-53551c05-22
0.343
NAU-LAT-a5c7d7cb-7
0.342
ALP-POS-05819dc4-1
0.339
DAR-DIA-53551c05-20
0.336
ALP-POS-ddb41b15-2
0.323
ALP-POS-ddb41b15-4
0.323
MAK-UNK-df1a028e-2
0.322
ALP-POS-ddb41b15-3
0.320
ALP-POS-fc6c627f-3
0.320
DAR-DIA-8e329c92-7
0.320
MAT-POS-3b536971-2
0.311
DAR-DIA-53551c05-15
0.307
MAT-POS-590ac91e-69
0.306
MAT-UCB-70f7c0f7-1
0.304
ERI-UCB-d6de1f3c-2
0.303
ALP-POS-ddb41b15-1
0.302
MAT-UCB-93f6aed8-2
0.302
DAR-DIA-8e329c92-5
0.298
DAR-DIA-8e329c92-8
0.298
MAT-POS-590ac91e-54
0.297
KRI-MAR-d2e3ef86-15
0.297
BEN-DND-7e92b6ca-3
0.296
ALP-POS-3fc1724e-1
0.295
ROB-UNI-daaf9793-1
0.295
MAT-POS-e1b5ac6b-1
0.295
BEN-DND-7e92b6ca-5
0.295
DAR-DIA-8e329c92-10
0.294
MAT-POS-54c4bf04-1
0.294
DAR-DIA-8e329c92-9
0.293
ALP-UNI-ed5cdfd2-4
0.288
DAR-DIA-8e329c92-4
0.287
MAT-POS-590ac91e-70
0.287