Molecular Properties | |
SMILES: | O=C1CCC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1 |
MW: | 407.15 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 109.52 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
ERI-UCB-ce40166b-13
0.867
ERI-UCB-ce40166b-18
0.739
NAU-LAT-a5c7d7cb-7
0.655
ERI-UCB-ce40166b-17
0.653
ALP-POS-3fc1724e-2
0.653
BEN-DND-7e92b6ca-5
0.639
ERI-UCB-ce40166b-15
0.632
ERI-UCB-ce40166b-16
0.625
MAT-POS-916a2c5a-2
0.538
ALP-POS-3fc1724e-1
0.520
ALP-POS-05819dc4-1
0.520
ERI-UCB-ce40166b-19
0.514
MAT-UCB-70f7c0f7-1
0.510
ERI-UCB-ce40166b-20
0.509
MAT-UCB-70f7c0f7-2
0.486
BEN-DND-7e92b6ca-4
0.467
MAR-UCB-f313ec4d-4
0.455
DAR-DIA-8e329c92-9
0.454
DAR-DIA-8e329c92-10
0.450
BEN-DND-7e92b6ca-3
0.443
ADA-UCB-b1b30a00-1
0.431
MAT-POS-54c4bf04-1
0.422
JAN-GHE-82a280f8-3
0.415
ADA-UCB-b1b30a00-2
0.415
DAR-DIA-8e329c92-12
0.413
MAT-UCB-70f7c0f7-4
0.408
NAU-LAT-56d5284e-6
0.400
ERI-UCB-ce40166b-21
0.400
DAR-DIA-8e329c92-4
0.396
DAR-DIA-8e329c92-11
0.396
MAT-UCB-70f7c0f7-3
0.389
MAT-POS-590ac91e-32
0.387
NAU-LAT-56d5284e-4
0.387
ALP-UNI-ed5cdfd2-7
0.386
NAU-LAT-56d5284e-7
0.385
MAT-POS-590ac91e-42
0.383
DAR-DIA-8e329c92-6
0.374
DAR-DIA-8e329c92-13
0.370
KRI-MAR-d2e3ef86-12
0.362
DAR-DIA-8e329c92-5
0.357
MAT-POS-590ac91e-47
0.353
JAN-GHE-82a280f8-2
0.351
ALP-UNI-ed5cdfd2-4
0.349
BEN-DND-7e92b6ca-2
0.349
ALP-POS-bea7b391-1
0.348
KRI-MAR-d2e3ef86-15
0.346
DAR-DIA-8e329c92-7
0.345
NAU-LAT-a5c7d7cb-9
0.343
ERI-UCB-a0b0dbcb-1
0.342
EDJ-MED-bbe8e3da-2
0.342
MAT-POS-3b92565d-6
0.342
MAT-POS-590ac91e-46
0.342
UNK-UNK-2ede4078-28
0.340
ALP-UNI-ed5cdfd2-6
0.339
BEN-DND-b89db3f2-5
0.339
EDJ-MED-edeb0d3a-1
0.339
ERI-UCB-ce40166b-2
0.339
MAT-POS-590ac91e-53
0.339
BEN-DND-7e92b6ca-13
0.336
NAU-LAT-56d5284e-1
0.336
EDJ-MED-6af13d92-2
0.336
NAU-LAT-56d5284e-2
0.333
EDJ-MED-6af13d92-3
0.333
DAR-DIA-8e329c92-8
0.331
ERI-UCB-a0b0dbcb-5
0.330
MAR-UCB-f313ec4d-5
0.330
BEN-DND-7e92b6ca-12
0.330
DAR-DIA-53551c05-15
0.328
ERI-UCB-a0b0dbcb-11
0.327
EDJ-MED-6af13d92-1
0.324
ERI-UCB-a0b0dbcb-9
0.324
BEN-DND-7e92b6ca-16
0.324
ALP-POS-fc6c627f-3
0.322
ERI-UCB-a0b0dbcb-8
0.321
NAU-LAT-56d5284e-3
0.321
VLA-UCB-eb340134-1
0.321
ALP-UNI-ed5cdfd2-5
0.321
ALP-UNI-ed5cdfd2-8
0.321
NAU-LAT-56d5284e-5
0.321
EDJ-MED-bbe8e3da-4
0.319
ERI-UCB-a0b0dbcb-6
0.319
ALP-POS-3fc1724e-3
0.318
BEN-DND-7e92b6ca-6
0.317
VLA-UCB-eb340134-3
0.316
EDJ-MED-bbe8e3da-3
0.316
ERI-UCB-a0b0dbcb-12
0.315
ERI-UCB-a0b0dbcb-4
0.315
NAU-LAT-56d5284e-8
0.315
ERI-UCB-d6de1f3c-1
0.315
ALP-POS-ddb41b15-4
0.314
DAR-DIA-9e4459de-23
0.313
MAT-POS-590ac91e-30
0.313
BEN-DND-7e92b6ca-11
0.312
KRI-MAR-d2e3ef86-13
0.312
BEN-DND-7e92b6ca-15
0.312
VLA-UNK-eaa804fd-3
0.310
BEN-DND-7e92b6ca-9
0.309
EDJ-MED-d1cd9639-1
0.307
EDJ-MED-edeb0d3a-2
0.307
MAT-POS-3b536971-1
0.307