Molecular Properties | |
SMILES: | O=C1CCC(N2CC3C=CC=C(NC(=O)CCC(=O)Nc4ccc5c(NC(=O)C6CCOc7ccc(Cl)cc76)cncc5c4)C3C2=O)C(=O)N1 |
MW: | 696.21 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 175.9 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Enamines
Glutarimides
cycloheximide
Long aliphatic chain
DAR-DIA-9e4459de-15
0.736
DAR-DIA-9e4459de-14
0.698
DAR-DIA-9e4459de-12
0.552
DAR-DIA-9e4459de-13
0.528
DAR-DIA-9e4459de-11
0.515
MAT-POS-1ecf5680-1
0.496
TET-ENA-382364b7-1
0.493
MAT-POS-1ecf5680-2
0.485
MAK-UNK-8be7dca9-2
0.481
ALP-POS-82da25a3-1
0.481
MAK-UNK-8be7dca9-9
0.477
PET-UNK-03fd2068-1
0.477
ERI-UCB-8d4e5055-3
0.467
MAT-POS-7ddaf7de-2
0.467
MAK-UNK-8be7dca9-5
0.467
BEN-DND-4f474d93-1
0.466
BEN-DND-4f474d93-3
0.466
ALP-POS-ce760d3f-2
0.466
JAG-UCB-571deb56-4
0.464
JAG-UCB-571deb56-2
0.460
ALF-EVA-5b152d2f-8
0.460
MAT-POS-7ddaf7de-3
0.459
ERI-UCB-8d4e5055-6
0.459
MAK-UNK-8be7dca9-1
0.458
ERI-UCB-8d4e5055-1
0.458
PET-UNK-6314f867-1
0.456
JAG-UCB-571deb56-5
0.453
ALF-EVA-5b152d2f-5
0.453
WIL-UCB-7ba4ac3a-1
0.452
JAG-UCB-571deb56-1
0.448
PET-UNK-b38839dc-4
0.446
JAG-UCB-571deb56-6
0.444
MAT-POS-f7918075-1
0.444
MAT-POS-b3e365b9-2
0.444
VLA-UCB-1dbca3b4-15
0.444
MAT-POS-b3e365b9-1
0.444
MAT-POS-7ddaf7de-1
0.442
JAG-UCB-571deb56-3
0.442
PET-UNK-f4e47ebd-4
0.439
MAT-POS-14f31916-5
0.437
RUB-POS-1325a9ea-10
0.435
JAG-UCB-571deb56-7
0.432
PET-UNK-ee8352fa-5
0.432
BEN-DND-4f474d93-2
0.430
ALP-POS-ce760d3f-3
0.430
PET-UNK-b38839dc-5
0.429
MAT-POS-f9802937-7
0.428
PET-UNK-7f7e354d-1
0.426
PET-UNK-b1ef24dc-8
0.422
NAU-LAT-b7d8c353-8
0.421
MAK-UNK-8be7dca9-6
0.421
MAK-UNK-8be7dca9-8
0.421
MAK-UNK-8be7dca9-4
0.421
MAK-UNK-8be7dca9-7
0.420
EDJ-MED-ba7e64f2-1
0.419
BEN-DND-c852c98b-4
0.419
EDG-MED-5d232de5-2
0.419
ALP-POS-696356e4-1
0.419
ALP-POS-ce760d3f-7
0.419
EDG-MED-5d232de5-1
0.419
MAT-POS-8293a91a-3
0.417
ALP-POS-82da25a3-2
0.417
MAT-POS-419aafdb-1
0.417
BEN-DND-c852c98b-7
0.414
MAT-POS-a2421bb6-3
0.414
ALF-EVA-5b152d2f-2
0.413
PET-UNK-ee8352fa-6
0.411
ALF-EVA-5b152d2f-7
0.411
MAT-POS-419aafdb-2
0.410
PET-UNK-b38839dc-3
0.409
MAT-POS-ee5e8e94-1
0.408
PET-UNK-f4e47ebd-3
0.408
MAT-POS-8040981b-1
0.407
PET-UNK-ee8352fa-4
0.407
BEN-DND-c852c98b-3
0.407
BEN-DND-c852c98b-5
0.407
ERI-UCB-8d4e5055-4
0.407
MIC-UNK-b904ca85-2
0.406
BEN-DND-c852c98b-2
0.406
ALF-EVA-ced740bd-1
0.404
BEN-DND-c852c98b-1
0.404
ADA-UCB-dc2b944c-8
0.403
PET-UNK-b1ef24dc-7
0.401
RAL-THA-b9d6aec1-3
0.401
MAT-POS-86c60949-3
0.401
ERI-UCB-8d4e5055-5
0.401
MAT-POS-14f31916-1
0.400
MAT-POS-8695a11f-2
0.400
MAT-POS-d8472c4f-6
0.400
ERI-UCB-8d4e5055-2
0.400
TET-ENA-1a76f195-1
0.399
BEN-DND-c852c98b-6
0.399
MAT-POS-14f31916-2
0.397
MAT-POS-acfe5bae-5
0.397
RAL-THA-b9d6aec1-2
0.396
RAL-THA-b9d6aec1-1
0.396
EDJ-MED-fb4b7746-2
0.393
MAT-POS-ee5e8e94-2
0.392
MIC-UNK-b904ca85-1
0.392
MAT-POS-acfe5bae-1
0.392