Molecular Properties | |
SMILES: | O=C(NCCOc1cccc(Cl)c1)c1cc(=O)[nH]c2ccccc12 |
MW: | 342.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.19 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
BEN-DND-7e92b6ca-5
0.746
ERI-UCB-ce40166b-13
0.663
ERI-UCB-ce40166b-15
0.663
ERI-UCB-ce40166b-14
0.655
ERI-UCB-ce40166b-16
0.655
ALP-POS-05819dc4-1
0.651
ERI-UCB-ce40166b-19
0.633
ERI-UCB-ce40166b-17
0.629
ALP-POS-3fc1724e-2
0.629
ERI-UCB-ce40166b-20
0.626
ALP-POS-3fc1724e-1
0.612
ERI-UCB-ce40166b-18
0.609
MAT-POS-916a2c5a-2
0.598
MAT-UCB-70f7c0f7-1
0.560
JAN-GHE-82a280f8-3
0.551
UNK-UNK-2ede4078-28
0.529
BEN-DND-7e92b6ca-4
0.519
MAT-UCB-70f7c0f7-2
0.515
NAU-LAT-a5c7d7cb-9
0.511
DAR-DIA-8e329c92-9
0.500
MAR-UCB-f313ec4d-4
0.500
NAU-LAT-56d5284e-6
0.500
BEN-DND-7e92b6ca-3
0.488
NAU-LAT-56d5284e-7
0.483
DAR-DIA-8e329c92-10
0.478
ADA-UCB-b1b30a00-1
0.473
NAU-LAT-56d5284e-4
0.467
MAT-POS-590ac91e-42
0.462
DAR-DIA-8e329c92-11
0.447
ALP-UNI-ed5cdfd2-7
0.438
DAR-DIA-8e329c92-12
0.434
MAT-POS-54c4bf04-1
0.430
JAN-GHE-82a280f8-2
0.423
BEN-DND-b89db3f2-5
0.423
EDJ-MED-edeb0d3a-1
0.423
NAU-LAT-56d5284e-5
0.419
ALP-POS-bea7b391-1
0.418
VLA-UCB-eb340134-4
0.415
ALP-POS-fc6c627f-3
0.412
ERI-UCB-d6de1f3c-1
0.411
ERI-UCB-a0b0dbcb-12
0.411
NAU-LAT-56d5284e-1
0.409
MAT-POS-590ac91e-32
0.406
DAR-DIA-8e329c92-6
0.406
NAU-LAT-56d5284e-2
0.404
MAT-POS-590ac91e-53
0.402
ALP-POS-ddb41b15-4
0.400
ERI-UCB-a0b0dbcb-2
0.398
NAU-LAT-56d5284e-8
0.396
JAN-GHE-82a280f8-1
0.392
MAR-UCB-d1255a91-2
0.388
DAR-DIA-8e329c92-4
0.388
NAU-LAT-56d5284e-3
0.388
MAT-UCB-70f7c0f7-4
0.385
DAR-DIA-8e329c92-13
0.385
MAT-POS-3b536971-1
0.384
EDJ-MED-edeb0d3a-2
0.384
ADA-UCB-b1b30a00-2
0.380
ALP-UNI-ed5cdfd2-4
0.379
BEN-DND-7e92b6ca-2
0.379
KRI-MAR-d2e3ef86-12
0.379
MAT-POS-e1b5ac6b-1
0.378
ROB-UNI-daaf9793-1
0.378
MAR-UCB-d1255a91-1
0.377
DAR-DIA-53551c05-17
0.376
KRI-MAR-d2e3ef86-15
0.375
ALP-POS-ddb41b15-2
0.374
ALP-POS-ddb41b15-1
0.374
VLA-UCB-eb340134-1
0.374
DAR-DIA-8e329c92-5
0.373
ALP-POS-ddb41b15-3
0.371
MAT-POS-54c4bf04-4
0.370
ERI-UCB-d6de1f3c-8
0.366
VLA-UCB-eb340134-2
0.366
VLA-UCB-eb340134-3
0.366
MAT-UCB-70f7c0f7-3
0.366
ALP-UNI-ed5cdfd2-5
0.361
ALP-UNI-ed5cdfd2-8
0.361
EDJ-MED-6af13d92-3
0.361
VLA-UNK-eaa804fd-3
0.360
DAR-DIA-8e329c92-7
0.358
EDJ-MED-d1cd9639-1
0.356
ERI-UCB-a0b0dbcb-1
0.356
MAT-POS-590ac91e-47
0.355
MAT-POS-590ac91e-46
0.355
ALP-UNI-ed5cdfd2-6
0.354
EDJ-MED-6af13d92-1
0.350
EDJ-MED-6af13d92-2
0.350
BEN-DND-7e92b6ca-6
0.344
BEN-DND-7e92b6ca-12
0.343
MAR-UCB-f313ec4d-5
0.343
EDJ-MED-bbe8e3da-4
0.343
DAR-DIA-8e329c92-8
0.342
ERI-UCB-d6de1f3c-4
0.342
ERI-UCB-a0b0dbcb-11
0.340
BEN-DND-7e92b6ca-10
0.337
KRI-MAR-d2e3ef86-5
0.337
ERI-UCB-d6de1f3c-3
0.333
DAR-DIA-53551c05-22
0.333
ALP-POS-75715966-3
0.333