Molecular Properties | |
SMILES: | O=C(NCCOc1cccc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12 |
MW: | 401.14 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 93.31 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
ERI-UCB-ce40166b-20
0.720
ERI-UCB-ce40166b-15
0.703
NAU-LAT-a5c7d7cb-7
0.655
ERI-UCB-ce40166b-13
0.649
BEN-DND-7e92b6ca-5
0.639
ERI-UCB-ce40166b-14
0.625
MAT-POS-916a2c5a-2
0.538
ALP-POS-3fc1724e-1
0.536
ALP-POS-05819dc4-1
0.536
ERI-UCB-ce40166b-19
0.529
ALP-POS-3fc1724e-2
0.524
ERI-UCB-ce40166b-17
0.524
ERI-UCB-ce40166b-18
0.509
MAT-UCB-70f7c0f7-1
0.481
MAR-UCB-f313ec4d-4
0.469
MAT-UCB-70f7c0f7-2
0.459
BEN-DND-7e92b6ca-4
0.452
DAR-DIA-8e329c92-10
0.450
DAR-DIA-8e329c92-9
0.439
BEN-DND-7e92b6ca-3
0.429
ADA-UCB-b1b30a00-1
0.417
DAR-DIA-8e329c92-12
0.400
ALP-UNI-ed5cdfd2-7
0.400
DAR-DIA-8e329c92-11
0.396
NAU-LAT-56d5284e-6
0.387
MAT-POS-590ac91e-42
0.383
MAT-POS-54c4bf04-1
0.381
JAN-GHE-82a280f8-3
0.376
DAR-DIA-8e329c92-6
0.374
MAT-POS-590ac91e-32
0.374
NAU-LAT-56d5284e-7
0.371
DAR-DIA-8e329c92-4
0.370
NAU-LAT-56d5284e-4
0.361
MAT-UCB-70f7c0f7-4
0.355
UNK-UNK-2ede4078-28
0.352
ADA-UCB-b1b30a00-2
0.351
KRI-MAR-d2e3ef86-12
0.349
ALP-UNI-ed5cdfd2-4
0.349
EDJ-MED-bbe8e3da-1
0.347
DAR-DIA-8e329c92-13
0.347
EDJ-MED-6af13d92-3
0.346
KRI-MAR-d2e3ef86-15
0.346
ALP-UNI-ed5cdfd2-5
0.346
DAR-DIA-8e329c92-5
0.345
ERI-UCB-a0b0dbcb-1
0.342
BEN-DND-b89db3f2-5
0.339
MAT-UCB-70f7c0f7-3
0.339
EDJ-MED-edeb0d3a-1
0.339
BEN-DND-7e92b6ca-2
0.336
DAR-DIA-8e329c92-7
0.333
ALP-POS-ddb41b15-5
0.333
ALP-UNI-ed5cdfd2-8
0.333
EDJ-MED-bbe8e3da-4
0.330
EDJ-MED-edeb0d3a-2
0.330
MAT-POS-3b536971-1
0.330
NAU-LAT-a5c7d7cb-9
0.330
MAR-UCB-f313ec4d-5
0.330
BEN-DND-7e92b6ca-12
0.330
MAT-POS-590ac91e-53
0.328
JAN-GHE-82a280f8-2
0.327
ALP-UNI-ed5cdfd2-6
0.327
ALP-POS-ddb41b15-1
0.325
ALP-POS-ddb41b15-2
0.325
ALP-POS-bea7b391-1
0.325
EDJ-MED-6af13d92-2
0.324
EDJ-MED-6af13d92-1
0.324
ALP-POS-fc6c627f-3
0.322
VLA-UNK-eaa804fd-3
0.321
NAU-LAT-56d5284e-5
0.321
BEN-DND-7e92b6ca-9
0.321
DAR-DIA-8e329c92-8
0.320
MAT-POS-590ac91e-47
0.320
MAT-POS-590ac91e-46
0.320
EDJ-MED-bbe8e3da-2
0.319
ERI-UCB-a0b0dbcb-11
0.316
EDJ-MED-bbe8e3da-3
0.316
ERI-UCB-a0b0dbcb-4
0.315
MAR-TRE-74c6519b-68
0.314
ALP-POS-ddb41b15-4
0.314
ERI-UCB-ce40166b-4
0.312
NAU-LAT-56d5284e-1
0.312
KRI-MAR-d2e3ef86-13
0.312
BEN-DND-7e92b6ca-13
0.312
BEN-DND-7e92b6ca-11
0.312
ALP-POS-ddb41b15-3
0.311
MAT-POS-54c4bf04-2
0.310
KRI-MAR-d2e3ef86-7
0.309
MAR-UCB-d1255a91-1
0.306
ERI-UCB-ce40166b-21
0.305
BEN-DND-7e92b6ca-6
0.304
ERI-UCB-d6de1f3c-1
0.304
NAU-LAT-56d5284e-8
0.304
ERI-UCB-a0b0dbcb-12
0.304
ERI-UCB-a0b0dbcb-2
0.303
MAR-UCB-d1255a91-2
0.303
ALP-POS-ddb41b15-10
0.301
BEN-DND-7e92b6ca-15
0.300
BEN-DND-7e92b6ca-16
0.299
NAU-LAT-56d5284e-3
0.298
MAR-TRE-92684b97-53
0.298