Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCOCCOc4ccc5c(NC(=O)C6CCOc7ccc(Cl)cc76)cncc5c4)C3C2=O)C(=O)N1 |
MW: | 685.19 |
Fraction sp3: | 0.31 |
HBA: | 10 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 165.26 |
cLogP: | 3.2 |
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-11
0.955
DAR-DIA-9e4459de-14
0.755
DAR-DIA-9e4459de-12
0.728
DAR-DIA-9e4459de-15
0.699
DAR-DIA-9e4459de-16
0.528
ERI-UCB-b3e6b0c2-15
0.486
MAK-UNK-8be7dca9-9
0.471
ALF-EVA-5b152d2f-8
0.464
ALP-POS-82da25a3-1
0.453
MAK-UNK-8be7dca9-5
0.450
PET-UNK-6314f867-1
0.450
PET-UNK-03fd2068-1
0.449
JAG-UCB-571deb56-5
0.448
ALF-EVA-5b152d2f-5
0.447
JAG-UCB-571deb56-2
0.444
MAK-UNK-8be7dca9-2
0.444
MAT-POS-7ddaf7de-2
0.440
ERI-UCB-8d4e5055-3
0.440
JAG-UCB-571deb56-4
0.438
MAT-POS-b3e365b9-1
0.438
VLA-UCB-1dbca3b4-15
0.438
MAT-POS-f7918075-1
0.438
MAT-POS-b3e365b9-2
0.438
BEN-DND-4f474d93-1
0.438
ALP-POS-ce760d3f-2
0.438
BEN-DND-4f474d93-3
0.438
MAT-POS-1ecf5680-1
0.438
MAT-POS-7ddaf7de-1
0.437
JAG-UCB-571deb56-3
0.437
PET-UNK-ee8352fa-6
0.437
MAT-POS-7ddaf7de-3
0.434
ERI-UCB-8d4e5055-6
0.434
TET-ENA-382364b7-1
0.434
MAK-UNK-8be7dca9-1
0.433
ERI-UCB-8d4e5055-1
0.433
JAG-UCB-571deb56-1
0.432
PET-UNK-b38839dc-4
0.431
RUB-POS-1325a9ea-10
0.430
JAG-UCB-571deb56-6
0.430
MAT-POS-1ecf5680-2
0.428
PET-UNK-ee8352fa-5
0.427
WIL-UCB-7ba4ac3a-1
0.426
PET-UNK-f4e47ebd-4
0.424
PET-UNK-b38839dc-5
0.424
DAR-DIA-9e4459de-7
0.424
MAT-POS-f9802937-7
0.423
BEN-DND-c852c98b-2
0.421
DAR-DIA-9e4459de-10
0.418
PET-UNK-b1ef24dc-8
0.417
MAT-POS-d8472c4f-6
0.415
MAT-POS-14f31916-1
0.415
BEN-DND-c852c98b-6
0.414
MAT-POS-14f31916-5
0.411
DAR-DIA-9e4459de-8
0.411
JAG-UCB-571deb56-7
0.409
ALF-EVA-5b152d2f-2
0.408
DAR-DIA-9e4459de-9
0.408
DAR-DIA-9e4459de-6
0.408
MAK-UNK-8be7dca9-8
0.407
ALF-EVA-5b152d2f-7
0.407
MAK-UNK-8be7dca9-7
0.406
PET-UNK-b38839dc-3
0.404
BEN-DND-4f474d93-2
0.404
ALP-POS-ce760d3f-7
0.404
ALP-POS-ce760d3f-3
0.404
EDJ-MED-ba7e64f2-1
0.404
BEN-DND-c852c98b-4
0.404
ALP-POS-696356e4-1
0.404
EDG-MED-5d232de5-1
0.404
EDG-MED-5d232de5-2
0.404
TET-ENA-1a76f195-1
0.404
PET-UNK-f4e47ebd-3
0.404
BEN-DND-c852c98b-3
0.403
MAT-POS-8293a91a-3
0.403
ALP-POS-82da25a3-2
0.403
PET-UNK-ee8352fa-4
0.403
ERI-UCB-b3e6b0c2-16
0.403
BEN-DND-c852c98b-7
0.400
ERI-UCB-b3e6b0c2-17
0.400
BEN-DND-c852c98b-1
0.400
MAK-UNK-8be7dca9-4
0.397
MAK-UNK-8be7dca9-6
0.397
NAU-LAT-b7d8c353-8
0.397
DAR-DIA-9e4459de-18
0.395
ERI-UCB-8d4e5055-4
0.393
BEN-DND-c852c98b-5
0.393
MAT-POS-14f31916-2
0.393
MAT-POS-acfe5bae-5
0.393
MAT-POS-8040981b-1
0.393
RAL-THA-b9d6aec1-2
0.392
PET-UNK-7f7e354d-1
0.392
MIC-UNK-b904ca85-2
0.392
ALF-EVA-ced740bd-1
0.390
MAT-POS-a2421bb6-3
0.390
ADA-UCB-dc2b944c-8
0.389
MAT-POS-86c60949-3
0.389
ERI-UCB-8d4e5055-5
0.389
MAT-POS-acfe5bae-1
0.388
MIC-UNK-b904ca85-1
0.388
MAT-POS-ee5e8e94-2
0.388