Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OCCOCCOCCNC3=CC=CC4C(=O)N(C5CCC(=O)NC5=O)CC34)c12 |
MW: | 729.3 |
Fraction sp3: | 0.39 |
HBA: | 11 |
HBD: | 4 |
Rotatable Bonds: | 18 |
TPSA: | 186.62 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
poly ethers
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-23
0.801
DAR-DIA-9e4459de-17
0.699
DAR-DIA-9e4459de-21
0.697
DAR-DIA-9e4459de-22
0.673
DAR-DIA-9e4459de-18
0.662
DAR-DIA-9e4459de-20
0.619
DAR-DIA-9e4459de-19
0.582
DAR-DIA-9e4459de-2
0.522
EDJ-MED-6af13d92-3
0.477
DAR-DIA-9e4459de-5
0.451
EDJ-MED-bbe8e3da-2
0.446
DAR-DIA-9e4459de-4
0.440
EDJ-MED-6af13d92-1
0.423
EDJ-MED-6af13d92-2
0.423
DAR-DIA-9e4459de-1
0.419
EDJ-MED-bbe8e3da-4
0.406
EDJ-MED-bbe8e3da-1
0.399
DAR-DIA-9e4459de-3
0.394
MAT-POS-3b536971-1
0.387
EDJ-MED-edeb0d3a-2
0.387
EDJ-MED-bbe8e3da-3
0.385
DAR-DIA-9e4459de-7
0.377
VLA-UNK-eaa804fd-3
0.371
MAT-POS-916a2c5a-2
0.364
DAR-DIA-9e4459de-12
0.354
MAT-POS-35d3f55a-2
0.350
MAT-POS-590ac91e-32
0.345
MAT-POS-590ac91e-42
0.333
DAR-DIA-9e4459de-10
0.316
DAR-DIA-9e4459de-9
0.309
DAR-DIA-9e4459de-6
0.302
ALP-POS-05819dc4-1
0.296
ERI-UCB-ce40166b-14
0.291
ERI-UCB-ce40166b-25
0.289
ALP-POS-3fc1724e-1
0.288
MAT-UCB-70f7c0f7-1
0.287
DAR-DIA-8e329c92-3
0.286
BEN-DND-7e92b6ca-1
0.286
MAR-UCB-f313ec4d-2
0.286
MAT-POS-91829f0d-1
0.286
JOH-UNI-abfda500-3
0.284
DAR-DIA-8e329c92-2
0.284
DAR-DIA-9e4459de-8
0.279
MAT-UCB-70f7c0f7-2
0.278
EDJ-MED-edeb0d3a-3
0.277
ERI-UCB-ce40166b-13
0.277
MAT-POS-8fd29122-1
0.277
ERI-UCB-ce40166b-18
0.276
ALP-POS-fc6c627f-3
0.275
ALP-POS-bea7b391-3
0.275
MAT-POS-590ac91e-47
0.274
BEN-DND-7e92b6ca-2
0.273
DAR-DIA-1a77c53a-9
0.273
DAR-DIA-9e4459de-26
0.273
DAR-DIA-9e4459de-30
0.271
DAR-DIA-1a77c53a-18
0.270
PET-UNK-752bebd6-1
0.269
DAR-DIA-9e4459de-25
0.268
MAT-POS-590ac91e-46
0.267
DAR-DIA-8e329c92-6
0.266
MAT-POS-590ac91e-37
0.266
DAR-DIA-8e329c92-5
0.266
ALP-POS-bea7b391-2
0.265
DAR-DIA-9e4459de-28
0.265
DAR-DIA-8e329c92-1
0.265
DAR-DIA-8e329c92-4
0.265
MAT-POS-35d3f55a-1
0.263
DAR-DIA-1a77c53a-20
0.262
DAR-DIA-9e4459de-11
0.260
DAR-DIA-9e4459de-14
0.260
DAR-DIA-8e329c92-7
0.259
DAR-DIA-1a77c53a-23
0.259
MAT-POS-3b536971-2
0.258
ALP-POS-3fc1724e-2
0.258
ERI-UCB-ce40166b-17
0.258
DAR-DIA-1a77c53a-17
0.257
MAT-POS-590ac91e-53
0.257
MAT-POS-590ac91e-43
0.256
DAR-DIA-1a77c53a-2
0.256
DAR-DIA-1a77c53a-4
0.256
DAR-DIA-1a77c53a-3
0.256
EDJ-MED-d1cd9639-2
0.255
DAR-DIA-1a77c53a-10
0.254
DAR-DIA-1a77c53a-11
0.254
MAT-UCB-70f7c0f7-4
0.253
DAR-DIA-1a77c53a-1
0.253
DAR-DIA-1a77c53a-7
0.252
DAR-DIA-8e329c92-8
0.251
DAR-DIA-1a77c53a-19
0.249
DAR-DIA-1a77c53a-24
0.249
DAR-DIA-1a77c53a-8
0.248
ERI-UCB-a0b0dbcb-9
0.248
MAR-UCB-f313ec4d-1
0.248
MAT-POS-590ac91e-41
0.247
NAU-LAT-a5c7d7cb-7
0.247
DAR-DIA-1a77c53a-14
0.246
ERI-UCB-ce40166b-15
0.245
MAT-UCB-70f7c0f7-3
0.245
ADA-UCB-b1b30a00-2
0.245
DAR-DIA-1a77c53a-12
0.244