Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C(NCCCCCCNC(=O)c4ccncc4NC(=O)Cc4cccc(Cl)c4)=CC=CC3C2=O)C(=O)N1 |
MW: | 632.25 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 13 |
TPSA: | 149.6 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
phthalimide
Enamines
Glutarimides
long aliphatic chain, 6+
cycloheximide
long chain hydrocarbon
Long aliphatic chain
Unbranched chain
PET-UNK-6c2be958-1
DAR-DIA-9e4459de-2
0.802
DAR-DIA-9e4459de-6
0.734
DAR-DIA-9e4459de-3
0.667
DAR-DIA-9e4459de-7
0.592
DAR-DIA-9e4459de-5
0.583
DAR-DIA-9e4459de-4
0.566
DAR-DIA-9e4459de-8
0.486
DAR-DIA-9e4459de-10
0.425
DAR-DIA-9e4459de-24
0.419
DAR-DIA-9e4459de-9
0.414
DAR-DIA-9e4459de-12
0.400
JOH-UNI-abfda500-4
0.390
JOH-UNI-abfda500-5
0.390
ANN-UNI-98d2bf15-3
0.390
MAT-POS-bb423b95-5
0.361
DAR-DIA-9e4459de-23
0.345
ALP-POS-95b75b4d-8
0.345
SAM-UNK-2684b532-13
0.345
MAT-POS-bb423b95-4
0.344
ALP-POS-95b75b4d-5
0.344
JIN-POS-6dc588a4-6
0.341
DAR-DIA-9e4459de-16
0.339
TRY-UNI-714a760b-6
0.339
SAM-UNK-2684b532-11
0.339
MAR-TRE-2fd8122f-3
0.333
ALP-POS-95b75b4d-6
0.331
SAM-UNK-2684b532-12
0.328
JIN-POS-6dc588a4-4
0.328
JIN-POS-6dc588a4-3
0.328
RUB-POS-1325a9ea-19
0.328
DAR-DIA-9e4459de-20
0.326
ALP-POS-95b75b4d-7
0.325
MAT-POS-f7918075-7
0.323
RUB-POS-1325a9ea-1
0.323
MAT-POS-bb423b95-1
0.323
EDJ-MED-a364e151-3
0.320
JIN-POS-6dc588a4-13
0.320
MAK-UNK-6ca90168-23
0.320
MAT-POS-f7918075-5
0.318
JIN-POS-6dc588a4-12
0.318
MIC-UNK-d935700b-2
0.318
DAR-DIA-9e4459de-17
0.316
MIC-UNK-8971c93c-1
0.315
MAT-POS-f7918075-4
0.315
DAR-DIA-9e4459de-14
0.315
MAT-POS-bb423b95-9
0.312
TRY-UNI-714a760b-3
0.312
MAT-POS-90fd5f68-8
0.312
DAR-DIA-9e4459de-15
0.311
MAT-POS-bb423b95-3
0.310
ALP-POS-0c2c77e1-1
0.310
PET-UNK-b1ef24dc-3
0.308
EDJ-MED-c8e7a002-16
0.308
MAT-POS-199e2e7c-1
0.308
PET-UNK-8df914d1-3
0.306
MAT-POS-14ad9fe9-1
0.306
JIN-POS-6dc588a4-20
0.306
EDJ-MED-239d8ca5-1
0.306
EDJ-MED-a364e151-2
0.305
RUB-POS-1325a9ea-15
0.305
EDJ-MED-a364e151-1
0.305
DAR-DIA-9e4459de-13
0.301
PET-UNK-b1ef24dc-1
0.300
MAT-POS-90fd5f68-26
0.300
RUB-POS-1325a9ea-12
0.300
PET-UNK-e274cad4-6
0.300
JIN-POS-6dc588a4-22
0.300
RUB-POS-1325a9ea-13
0.300
MAT-POS-90fd5f68-14
0.299
MAK-UNK-ffc90da7-5
0.299
DAR-DIA-9e4459de-19
0.298
DAR-DIA-9e4459de-21
0.298
DAR-DIA-9e4459de-18
0.298
PET-UNK-b1ef24dc-4
0.298
JIN-POS-6dc588a4-14
0.298
RUB-POS-1325a9ea-5
0.298
PET-UNK-8df914d1-5
0.297
EDJ-MED-976da9a6-1
0.296
MAT-POS-c20a539d-4
0.296
DAR-DIA-9e4459de-29
0.296
MAT-POS-f7918075-8
0.295
MAT-POS-f7918075-3
0.295
MIC-UNK-08cd9c58-1
0.295
RUB-POS-1325a9ea-8
0.295
TRY-UNI-2eddb1ff-7
0.295
WIL-MOD-03b86a88-1
0.295
BRU-LEF-c49414a7-1
0.294
RAL-THA-901e9a10-7
0.294
DAR-DIA-9e4459de-11
0.294
ABI-SAT-4d06482b-2
0.294
RUB-POS-1325a9ea-14
0.293
PET-UNK-e274cad4-1
0.293
JAN-GHE-5a013bed-10
0.293
MIC-UNK-fc94cdb5-1
0.293
MAT-POS-90fd5f68-32
0.293
MIC-UNK-4fbd4db9-6
0.293
EDJ-MED-6ab52e52-1
0.292
MIC-UNK-50cce87d-2
0.292
MAT-POS-90fd5f68-39
0.292
MAT-POS-90fd5f68-37
0.291