Molecular Properties | |
SMILES: | O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1cc(=O)[nH]c2ccccc12 |
MW: | 381.12 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.2 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
NAU-LAT-56d5284e-7
0.753
NAU-LAT-56d5284e-1
0.675
NAU-LAT-56d5284e-6
0.605
ERI-UCB-a0b0dbcb-2
0.583
JAN-GHE-82a280f8-1
0.533
NAU-LAT-56d5284e-5
0.517
ALP-POS-bea7b391-1
0.479
NAU-LAT-56d5284e-3
0.479
ERI-UCB-d6de1f3c-1
0.473
NAU-LAT-a5c7d7cb-7
0.467
NAU-LAT-56d5284e-2
0.467
VLA-UCB-eb340134-4
0.462
MAT-POS-54c4bf04-4
0.458
NAU-LAT-56d5284e-8
0.442
BEN-DND-7e92b6ca-15
0.441
ERI-UCB-d6de1f3c-8
0.439
KRI-MAR-d2e3ef86-15
0.436
VLA-UCB-eb340134-1
0.433
MAT-UCB-70f7c0f7-4
0.432
ERI-UCB-a0b0dbcb-12
0.427
KRI-MAR-d2e3ef86-12
0.426
VLA-UCB-eb340134-3
0.424
MAR-UCB-d1255a91-2
0.417
BEN-DND-7e92b6ca-12
0.417
MAR-UCB-f313ec4d-5
0.417
ERI-UCB-a0b0dbcb-3
0.417
ALP-POS-05819dc4-1
0.414
ERI-UCB-a0b0dbcb-4
0.412
MAT-POS-916a2c5a-4
0.411
EDJ-MED-78f964c8-1
0.411
ALP-UNI-ed5cdfd2-4
0.411
ADA-UCB-b1b30a00-2
0.410
VLA-UCB-eb340134-2
0.410
MAT-UCB-70f7c0f7-3
0.410
JAN-GHE-82a280f8-2
0.410
ERI-UCB-ce40166b-21
0.408
MAR-UCB-d1255a91-1
0.406
ERI-UCB-d6de1f3c-4
0.405
MIC-UNK-c5a20098-1
0.404
EDJ-MED-d1cd9639-1
0.400
BEN-DND-7e92b6ca-4
0.400
ERI-UCB-d6de1f3c-3
0.396
ALP-POS-3fc1724e-2
0.396
ERI-UCB-ce40166b-17
0.396
JAN-GHE-82a280f8-3
0.396
BEN-DND-7e92b6ca-5
0.396
ERI-UCB-ce40166b-13
0.390
DAR-DIA-8e329c92-4
0.390
DAR-DIA-8e329c92-9
0.389
BEN-DND-7e92b6ca-14
0.387
ERI-UCB-ce40166b-14
0.387
ALP-POS-3fc1724e-1
0.386
ERI-UCB-a0b0dbcb-1
0.386
ERI-UCB-ce40166b-18
0.385
ADA-UCB-b1b30a00-1
0.384
MAT-POS-3b536971-2
0.380
BEN-DND-7e92b6ca-3
0.379
DAR-DIA-53551c05-17
0.379
ERI-UCB-ce40166b-19
0.376
MAT-POS-54c4bf04-1
0.374
MAT-UCB-70f7c0f7-1
0.368
KRI-MAR-d2e3ef86-13
0.367
BEN-DND-7e92b6ca-13
0.367
MAT-POS-916a2c5a-2
0.367
BEN-DND-7e92b6ca-11
0.367
ALP-UNI-ed5cdfd2-7
0.365
ERI-UCB-ce40166b-15
0.364
ALP-UNI-ed5cdfd2-5
0.364
MAR-UCB-f313ec4d-4
0.364
BEN-DND-7e92b6ca-6
0.363
DAR-DIA-8e329c92-5
0.362
DAR-DIA-8e329c92-7
0.361
ERI-UCB-ce40166b-16
0.361
ERI-UCB-ce40166b-20
0.360
DAR-DIA-8e329c92-10
0.360
ERI-UCB-a0b0dbcb-5
0.358
MAK-UNK-df1a028e-3
0.357
BEN-DND-7e92b6ca-10
0.354
KRI-MAR-d2e3ef86-5
0.354
BEN-DND-7e92b6ca-16
0.354
DAR-DIA-8e329c92-6
0.353
ALP-POS-ddb41b15-1
0.351
ROB-UNI-daaf9793-1
0.351
MAT-POS-e1b5ac6b-1
0.351
BEN-DND-7e92b6ca-9
0.350
ALP-UNI-ed5cdfd2-8
0.350
KRI-MAR-d2e3ef86-7
0.350
DAR-DIA-8e329c92-11
0.350
ALP-POS-fc6c627f-3
0.349
BEN-DND-7e92b6ca-7
0.347
ALP-UNI-ed5cdfd2-6
0.343
DAR-DIA-8e329c92-12
0.343
ERI-UCB-a0b0dbcb-9
0.340
MAT-POS-450cb4f9-2
0.340
KRI-MAR-d2e3ef86-6
0.340
MAT-UCB-70f7c0f7-2
0.339
ALP-POS-ddb41b15-2
0.339
ALP-POS-ddb41b15-4
0.339
DAR-DIA-8e329c92-13
0.339
SAD-SAT-65574d3f-9
0.337