Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CC(Nc2cccc(Cl)c2)C1 |
MW: | 353.09 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.2 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
NAU-LAT-56d5284e-3
0.747
ERI-UCB-a0b0dbcb-8
0.586
ERI-UCB-a0b0dbcb-2
0.553
ERI-UCB-a0b0dbcb-12
0.545
MAT-POS-54c4bf04-4
0.544
NAU-LAT-56d5284e-2
0.540
ERI-UCB-d6de1f3c-1
0.528
NAU-LAT-56d5284e-5
0.523
ERI-UCB-d6de1f3c-8
0.522
EDJ-MED-d1cd9639-1
0.511
VLA-UCB-eb340134-4
0.500
ERI-UCB-a0b0dbcb-9
0.494
ERI-UCB-a0b0dbcb-5
0.490
BEN-DND-7e92b6ca-10
0.483
KRI-MAR-d2e3ef86-5
0.483
BEN-DND-7e92b6ca-6
0.482
VLA-UCB-eb340134-3
0.474
NAU-LAT-56d5284e-7
0.473
VLA-UCB-eb340134-1
0.468
BEN-DND-7e92b6ca-16
0.466
MAT-POS-916a2c5a-4
0.465
EDJ-MED-78f964c8-1
0.465
BEN-DND-7e92b6ca-13
0.462
JAN-GHE-82a280f8-1
0.457
BEN-DND-7e92b6ca-14
0.455
ERI-UCB-d6de1f3c-3
0.453
MAK-UNK-df1a028e-3
0.451
MAR-UCB-d1255a91-2
0.450
ERI-UCB-d6de1f3c-4
0.449
ERI-UCB-a0b0dbcb-10
0.448
BEN-DND-7e92b6ca-15
0.446
VLA-UCB-eb340134-2
0.443
NAU-LAT-56d5284e-6
0.442
NAU-LAT-56d5284e-4
0.442
ERI-UCB-a0b0dbcb-14
0.442
KRI-MAR-d2e3ef86-7
0.441
BEN-DND-7e92b6ca-7
0.440
MAR-UCB-d1255a91-1
0.437
ERI-UCB-a0b0dbcb-3
0.436
BEN-DND-7e92b6ca-12
0.436
MAR-UCB-f313ec4d-5
0.436
ERI-UCB-a0b0dbcb-6
0.433
ERI-UCB-a0b0dbcb-4
0.432
KRI-MAR-d2e3ef86-13
0.430
NAU-LAT-56d5284e-1
0.430
BEN-DND-7e92b6ca-11
0.430
ERI-UCB-a0b0dbcb-13
0.429
ERI-UCB-a0b0dbcb-11
0.429
JAN-GHE-82a280f8-2
0.429
ALP-POS-3fc1724e-4
0.427
KRI-MAR-d2e3ef86-6
0.427
BEN-DND-7e92b6ca-9
0.426
DAR-DIA-53551c05-17
0.424
ALP-POS-3fc1724e-3
0.421
ERI-UCB-a0b0dbcb-1
0.418
KRI-MAR-d2e3ef86-4
0.417
MAT-POS-916a2c5a-3
0.417
ERI-UCB-ce40166b-21
0.412
ALP-POS-bea7b391-1
0.410
JAN-GHE-82a280f8-3
0.400
ERI-UCB-a0b0dbcb-7
0.398
NAU-LAT-a5c7d7cb-7
0.396
ALP-POS-05819dc4-1
0.390
DAR-DIA-53551c05-22
0.385
MAK-UNK-df1a028e-2
0.382
BEN-DND-7e92b6ca-4
0.374
BEN-DND-b89db3f2-5
0.373
EDJ-MED-edeb0d3a-1
0.373
ALP-POS-ddb41b15-1
0.367
ALP-POS-ddb41b15-4
0.367
ALP-POS-fc6c627f-3
0.364
ALP-POS-ddb41b15-3
0.364
DAR-DIA-8e329c92-10
0.364
DAR-DIA-53551c05-20
0.361
ALP-UNI-ed5cdfd2-4
0.357
MAT-POS-e1b5ac6b-1
0.355
ROB-UNI-daaf9793-1
0.355
ALP-POS-ddb41b15-2
0.355
ALP-UNI-ed5cdfd2-7
0.354
KRI-MAR-d2e3ef86-15
0.354
DAR-DIA-8e329c92-4
0.353
MAT-UCB-70f7c0f7-4
0.350
MAT-POS-590ac91e-69
0.350
ALP-POS-3fc1724e-1
0.350
KRI-MAR-d2e3ef86-12
0.343
BEN-DND-7e92b6ca-5
0.340
ALP-UNI-ed5cdfd2-5
0.340
MAT-POS-590ac91e-70
0.340
DAR-DIA-8e329c92-9
0.337
MAT-POS-54c4bf04-1
0.337
MAT-POS-590ac91e-58
0.337
ALP-POS-3fc1724e-2
0.336
ERI-UCB-ce40166b-17
0.336
MAT-UCB-70f7c0f7-3
0.333
DAR-DIA-53551c05-15
0.333
ALP-UNI-ed5cdfd2-6
0.333
MAT-UCB-70f7c0f7-1
0.333
ADA-UCB-b1b30a00-1
0.333
ADA-UCB-b1b30a00-2
0.333
DAR-DIA-8e329c92-6
0.330