Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NC(=O)CCC(=O)Nc4ccc5c(NC(=O)C6CCOc7ccc(Cl)cc76)cncc5c4)C3C2=O)C(=O)N1 |
MW: | 710.19 |
Fraction sp3: | 0.28 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 192.97 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
cycloheximide
Long aliphatic chain
DAR-DIA-9e4459de-16
0.736
DAR-DIA-9e4459de-13
0.699
DAR-DIA-9e4459de-11
0.680
DAR-DIA-9e4459de-12
0.536
DAR-DIA-9e4459de-14
0.527
MAT-POS-1ecf5680-1
0.500
TET-ENA-382364b7-1
0.496
MAT-POS-1ecf5680-2
0.489
MAK-UNK-8be7dca9-9
0.481
PET-UNK-03fd2068-1
0.481
MAK-UNK-8be7dca9-2
0.474
ALP-POS-82da25a3-1
0.474
MAT-POS-7ddaf7de-2
0.470
PET-UNK-6314f867-1
0.470
ERI-UCB-8d4e5055-3
0.470
MAK-UNK-8be7dca9-5
0.470
ALP-POS-ce760d3f-2
0.469
BEN-DND-4f474d93-1
0.469
BEN-DND-4f474d93-3
0.469
JAG-UCB-571deb56-5
0.467
ALF-EVA-5b152d2f-5
0.467
JAG-UCB-571deb56-2
0.464
ALF-EVA-5b152d2f-8
0.463
MAT-POS-b3e365b9-2
0.458
VLA-UCB-1dbca3b4-15
0.458
MAT-POS-f7918075-1
0.458
MAT-POS-b3e365b9-1
0.458
JAG-UCB-571deb56-4
0.457
WIL-UCB-7ba4ac3a-1
0.455
MAT-POS-7ddaf7de-3
0.452
ERI-UCB-8d4e5055-6
0.452
MAK-UNK-8be7dca9-1
0.451
ERI-UCB-8d4e5055-1
0.451
JAG-UCB-571deb56-1
0.451
JAG-UCB-571deb56-6
0.448
PET-UNK-b38839dc-4
0.439
DAR-DIA-9e4459de-8
0.436
MAT-POS-7ddaf7de-1
0.435
JAG-UCB-571deb56-3
0.435
PET-UNK-ee8352fa-5
0.435
ALP-POS-ce760d3f-3
0.433
BEN-DND-4f474d93-2
0.433
PET-UNK-f4e47ebd-4
0.432
MAT-POS-14f31916-5
0.430
PET-UNK-7f7e354d-1
0.430
RUB-POS-1325a9ea-10
0.428
JAG-UCB-571deb56-7
0.426
PET-UNK-b1ef24dc-8
0.425
ALF-EVA-5b152d2f-7
0.424
PET-UNK-ee8352fa-6
0.424
MAK-UNK-8be7dca9-8
0.424
MAK-UNK-8be7dca9-4
0.424
MAK-UNK-8be7dca9-7
0.423
EDJ-MED-ba7e64f2-1
0.422
BEN-DND-c852c98b-4
0.422
ALP-POS-696356e4-1
0.422
ALP-POS-ce760d3f-7
0.422
EDG-MED-5d232de5-1
0.422
EDG-MED-5d232de5-2
0.422
PET-UNK-b38839dc-3
0.422
PET-UNK-b38839dc-5
0.421
ALP-POS-82da25a3-2
0.420
MAT-POS-8293a91a-3
0.420
MAT-POS-419aafdb-1
0.420
MIC-UNK-b904ca85-2
0.419
BEN-DND-c852c98b-1
0.417
BEN-DND-c852c98b-7
0.417
DAR-DIA-9e4459de-10
0.416
ADA-UCB-dc2b944c-8
0.416
ALF-EVA-5b152d2f-2
0.416
DAR-DIA-9e4459de-6
0.415
MIC-UNK-b904ca85-1
0.414
MAT-POS-d8472c4f-6
0.413
MAT-POS-14f31916-1
0.413
MAT-POS-419aafdb-2
0.413
MAT-POS-f9802937-7
0.410
BEN-DND-c852c98b-3
0.410
MAT-POS-14f31916-2
0.410
MAT-POS-acfe5bae-5
0.410
MAT-POS-8040981b-1
0.410
PET-UNK-ee8352fa-4
0.410
BEN-DND-c852c98b-5
0.410
ERI-UCB-8d4e5055-4
0.410
BEN-DND-c852c98b-2
0.408
MAT-POS-a2421bb6-3
0.407
DAR-DIA-9e4459de-9
0.406
PET-UNK-b1ef24dc-7
0.404
MAT-POS-acfe5bae-1
0.404
MAT-POS-ee5e8e94-2
0.404
RAL-THA-b9d6aec1-3
0.404
MAK-UNK-8be7dca9-6
0.404
NAU-LAT-b7d8c353-8
0.404
MAT-POS-86c60949-3
0.404
ERI-UCB-8d4e5055-5
0.404
MAT-POS-8695a11f-2
0.403
ERI-UCB-8d4e5055-2
0.403
MAT-POS-ee5e8e94-1
0.401
TET-ENA-1a76f195-1
0.401
MAT-POS-14f31916-3
0.401
BEN-DND-c852c98b-6
0.401