Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OCCOCNC3=CC=CC4C(=O)N(C5CCC(=O)NC5=O)C(=O)C34)c12 |
MW: | 685.24 |
Fraction sp3: | 0.31 |
HBA: | 11 |
HBD: | 4 |
Rotatable Bonds: | 14 |
TPSA: | 194.46 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-22
0.778
DAR-DIA-9e4459de-19
0.768
DAR-DIA-9e4459de-17
0.754
DAR-DIA-9e4459de-24
0.662
DAR-DIA-9e4459de-23
0.648
DAR-DIA-9e4459de-21
0.644
DAR-DIA-9e4459de-20
0.591
EDJ-MED-6af13d92-3
0.500
EDJ-MED-bbe8e3da-2
0.466
EDJ-MED-6af13d92-1
0.454
DAR-DIA-9e4459de-7
0.451
EDJ-MED-6af13d92-2
0.443
EDJ-MED-bbe8e3da-4
0.423
DAR-DIA-9e4459de-6
0.417
DAR-DIA-9e4459de-9
0.409
EDJ-MED-bbe8e3da-1
0.406
MAT-POS-3b536971-1
0.404
EDJ-MED-edeb0d3a-2
0.404
EDJ-MED-bbe8e3da-3
0.401
DAR-DIA-9e4459de-10
0.401
DAR-DIA-9e4459de-13
0.395
DAR-DIA-9e4459de-8
0.394
VLA-UNK-eaa804fd-3
0.387
DAR-DIA-9e4459de-11
0.387
MAT-POS-916a2c5a-2
0.370
MAT-POS-35d3f55a-2
0.365
MAT-POS-590ac91e-32
0.360
MAT-POS-590ac91e-42
0.357
DAR-DIA-9e4459de-2
0.326
JOH-UNI-abfda500-3
0.305
DAR-DIA-8e329c92-2
0.305
ERI-UCB-ce40166b-14
0.303
ERI-UCB-ce40166b-25
0.301
ALP-POS-05819dc4-1
0.299
BEN-DND-7e92b6ca-1
0.299
MAR-UCB-f313ec4d-2
0.298
MAT-POS-91829f0d-1
0.298
DAR-DIA-8e329c92-3
0.298
DAR-DIA-9e4459de-1
0.298
DAR-DIA-9e4459de-4
0.294
ALP-POS-3fc1724e-1
0.291
MAT-UCB-70f7c0f7-1
0.289
MAT-POS-8fd29122-1
0.289
DAR-DIA-9e4459de-15
0.289
ERI-UCB-ce40166b-13
0.288
DAR-DIA-9e4459de-14
0.287
DAR-DIA-9e4459de-5
0.287
ALP-POS-fc6c627f-3
0.286
ALP-POS-bea7b391-3
0.286
ALP-POS-bea7b391-2
0.284
PET-UNK-752bebd6-1
0.281
EDJ-MED-edeb0d3a-3
0.280
DAR-DIA-9e4459de-3
0.280
ERI-UCB-ce40166b-18
0.278
BEN-DND-7e92b6ca-2
0.276
DAR-DIA-8e329c92-1
0.276
MAT-POS-35d3f55a-1
0.274
DAR-DIA-1a77c53a-20
0.272
DAR-DIA-9e4459de-12
0.270
MAT-POS-590ac91e-46
0.269
MAT-POS-590ac91e-37
0.268
DAR-DIA-1a77c53a-9
0.268
MAT-POS-590ac91e-53
0.267
MAT-POS-590ac91e-43
0.267
DAR-DIA-8e329c92-4
0.267
DAR-DIA-1a77c53a-19
0.265
MAT-UCB-70f7c0f7-2
0.264
DAR-DIA-1a77c53a-18
0.264
MAT-UCB-70f7c0f7-4
0.264
MAT-POS-590ac91e-47
0.261
DAR-DIA-1a77c53a-12
0.261
DAR-DIA-1a77c53a-13
0.261
MAT-POS-3b536971-2
0.260
DAR-DIA-8e329c92-6
0.260
DAR-DIA-8e329c92-5
0.260
ERI-UCB-ce40166b-17
0.259
ALP-POS-3fc1724e-2
0.259
DAR-DIA-1a77c53a-17
0.259
DAR-DIA-1a77c53a-6
0.259
DAR-DIA-1a77c53a-5
0.259
MAR-UCB-f313ec4d-1
0.259
DAR-DIA-1a77c53a-2
0.258
NAU-LAT-a5c7d7cb-7
0.257
EDJ-MED-d1cd9639-2
0.257
DAR-DIA-1a77c53a-10
0.256
DAR-DIA-1a77c53a-11
0.256
DAR-DIA-1a77c53a-1
0.255
ADA-UCB-b1b30a00-2
0.255
ERI-UCB-ce40166b-15
0.255
DAR-DIA-8e329c92-7
0.253
DAR-DIA-8e329c92-8
0.253
DAR-DIA-1a77c53a-24
0.250
ERI-UCB-a0b0dbcb-9
0.250
MAR-UCB-f313ec4d-4
0.248
DAR-DIA-1a77c53a-14
0.247
MAT-UCB-70f7c0f7-3
0.247
ALP-POS-fc6c627f-1
0.245
DAR-DIA-1a77c53a-23
0.245
DAR-DIA-1a77c53a-7
0.245
ERI-UCB-ce40166b-16
0.245