Molecular Properties | |
SMILES: | O=C(NCCOc1cccc2c1OCCC2)c1cc(=O)[nH]c2ccccc12 |
MW: | 364.14 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.42 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-UCB-70f7c0f7-1
0.653
MAT-POS-916a2c5a-2
0.570
ALP-POS-3fc1724e-1
0.551
BEN-DND-7e92b6ca-5
0.544
ALP-POS-05819dc4-1
0.535
NAU-LAT-a5c7d7cb-7
0.515
ERI-UCB-ce40166b-14
0.486
ERI-UCB-ce40166b-13
0.477
ERI-UCB-ce40166b-15
0.477
MAT-POS-590ac91e-47
0.464
MAT-POS-590ac91e-46
0.464
MAT-POS-590ac91e-53
0.460
ERI-UCB-ce40166b-16
0.459
MAR-UCB-f313ec4d-4
0.455
ERI-UCB-ce40166b-18
0.455
ERI-UCB-ce40166b-17
0.455
ALP-POS-3fc1724e-2
0.455
BEN-DND-7e92b6ca-4
0.453
ERI-UCB-ce40166b-19
0.446
DAR-DIA-8e329c92-9
0.440
ADA-UCB-b1b30a00-1
0.433
BEN-DND-7e92b6ca-3
0.430
ERI-UCB-ce40166b-20
0.430
DAR-DIA-8e329c92-12
0.427
DAR-DIA-8e329c92-11
0.411
MAT-POS-54c4bf04-1
0.410
MAT-POS-590ac91e-32
0.402
MAT-POS-590ac91e-42
0.398
DAR-DIA-8e329c92-10
0.396
DAR-DIA-8e329c92-13
0.395
DAR-DIA-8e329c92-5
0.384
NAU-LAT-56d5284e-6
0.376
DAR-DIA-8e329c92-6
0.376
ALP-UNI-ed5cdfd2-7
0.375
KRI-MAR-d2e3ef86-15
0.374
DAR-DIA-8e329c92-4
0.373
ADA-UCB-b1b30a00-2
0.366
MAT-UCB-70f7c0f7-3
0.366
NAU-LAT-56d5284e-7
0.361
EDJ-MED-6af13d92-3
0.361
DAR-DIA-8e329c92-7
0.359
MAT-UCB-70f7c0f7-4
0.358
DAR-DIA-8e329c92-8
0.355
BEN-DND-7e92b6ca-2
0.352
KRI-MAR-d2e3ef86-12
0.352
EDJ-MED-6af13d92-2
0.351
EDJ-MED-6af13d92-1
0.351
ALP-POS-bea7b391-1
0.351
ALP-POS-fc6c627f-3
0.347
MAT-POS-35d3f55a-2
0.345
EDJ-MED-bbe8e3da-4
0.345
EDJ-MED-bbe8e3da-2
0.345
JAN-GHE-82a280f8-3
0.342
ALP-UNI-ed5cdfd2-4
0.339
NAU-LAT-56d5284e-4
0.339
EDJ-MED-bbe8e3da-1
0.339
VLA-UNK-eaa804fd-3
0.336
EDJ-MED-edeb0d3a-2
0.333
MAT-POS-3b536971-1
0.333
JAN-GHE-82a280f8-2
0.330
EDJ-MED-bbe8e3da-3
0.330
BEN-DND-b89db3f2-5
0.330
EDJ-MED-edeb0d3a-1
0.330
ERI-UCB-a0b0dbcb-8
0.325
ALP-UNI-ed5cdfd2-5
0.324
BEN-DND-7e92b6ca-6
0.320
NAU-LAT-56d5284e-8
0.319
ALP-UNI-ed5cdfd2-6
0.319
MAK-UNK-df1a028e-3
0.318
BEN-DND-7e92b6ca-13
0.315
MAT-POS-590ac91e-35
0.314
ERI-UCB-ce40166b-25
0.313
NAU-LAT-56d5284e-3
0.313
ALP-UNI-ed5cdfd2-8
0.312
ERI-UCB-a0b0dbcb-5
0.311
ERI-UCB-a0b0dbcb-10
0.310
VLA-UCB-eb340134-4
0.310
DAR-DIA-8e329c92-3
0.309
ERI-UCB-d6de1f3c-1
0.307
ERI-UCB-a0b0dbcb-12
0.307
DAR-DIA-8e329c92-2
0.306
JOH-UNI-abfda500-3
0.306
ERI-UCB-a0b0dbcb-9
0.304
NAU-LAT-56d5284e-1
0.304
MAT-POS-590ac91e-36
0.303
ALP-POS-ddb41b15-3
0.303
NAU-LAT-56d5284e-5
0.301
BEN-DND-7e92b6ca-9
0.301
EDJ-MED-d1cd9639-1
0.299
ERI-UCB-a0b0dbcb-6
0.299
MAT-POS-916a2c5a-4
0.299
EDJ-MED-78f964c8-1
0.299
BEN-DND-7e92b6ca-7
0.297
VLA-UCB-eb340134-2
0.297
ALP-POS-ddb41b15-1
0.296
ERI-UCB-a0b0dbcb-4
0.296
MAR-UCB-d1255a91-2
0.295
ERI-UCB-a0b0dbcb-2
0.295
MAT-POS-590ac91e-30
0.294
BEN-DND-7e92b6ca-14
0.294