Molecular Properties | |
SMILES: | O=C1CCC(N2C(=O)C3C=CC=C(NCOCCOCCOc4ccc5c(NC(=O)C6CCOc7ccc(Cl)cc76)cncc5c4)C3C2=O)C(=O)N1 |
MW: | 729.22 |
Fraction sp3: | 0.35 |
HBA: | 11 |
HBD: | 3 |
Rotatable Bonds: | 13 |
TPSA: | 174.49 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
phthalimide
Enamines
Glutarimides
Filter78_bicyclic_Imide
poly ethers
cycloheximide
Long aliphatic chain
Unbranched chain
DAR-DIA-9e4459de-13
0.955
DAR-DIA-9e4459de-12
0.767
DAR-DIA-9e4459de-14
0.724
DAR-DIA-9e4459de-15
0.680
DAR-DIA-9e4459de-16
0.515
ERI-UCB-b3e6b0c2-15
0.483
MAK-UNK-8be7dca9-9
0.457
JAG-UCB-571deb56-2
0.452
ALF-EVA-5b152d2f-8
0.451
ERI-UCB-8d4e5055-3
0.448
MAT-POS-7ddaf7de-2
0.448
PET-UNK-6314f867-1
0.448
JAG-UCB-571deb56-4
0.446
JAG-UCB-571deb56-5
0.445
MAT-POS-1ecf5680-1
0.445
TET-ENA-382364b7-1
0.441
ALP-POS-82da25a3-1
0.441
JAG-UCB-571deb56-1
0.440
MAK-UNK-8be7dca9-5
0.438
JAG-UCB-571deb56-6
0.437
PET-UNK-03fd2068-1
0.437
JAG-UCB-571deb56-3
0.435
MAT-POS-7ddaf7de-1
0.435
PET-UNK-ee8352fa-6
0.434
ALF-EVA-5b152d2f-5
0.434
MAK-UNK-8be7dca9-2
0.432
DAR-DIA-9e4459de-7
0.430
PET-UNK-b38839dc-4
0.429
RUB-POS-1325a9ea-10
0.428
MAT-POS-1ecf5680-2
0.426
ALP-POS-ce760d3f-2
0.426
VLA-UCB-1dbca3b4-15
0.426
MAT-POS-f7918075-1
0.426
MAT-POS-b3e365b9-2
0.426
MAT-POS-b3e365b9-1
0.426
BEN-DND-4f474d93-1
0.426
BEN-DND-4f474d93-3
0.426
PET-UNK-ee8352fa-5
0.425
MAT-POS-7ddaf7de-3
0.423
ERI-UCB-8d4e5055-6
0.423
ERI-UCB-8d4e5055-1
0.422
MAK-UNK-8be7dca9-1
0.422
PET-UNK-f4e47ebd-4
0.422
PET-UNK-b38839dc-5
0.422
MAT-POS-f9802937-7
0.421
DAR-DIA-9e4459de-10
0.417
MAT-POS-14f31916-1
0.414
MAT-POS-d8472c4f-6
0.414
WIL-UCB-7ba4ac3a-1
0.414
BEN-DND-c852c98b-2
0.409
JAG-UCB-571deb56-7
0.408
ALF-EVA-5b152d2f-2
0.407
PET-UNK-b1ef24dc-8
0.406
MAK-UNK-8be7dca9-8
0.405
PET-UNK-f4e47ebd-3
0.403
TET-ENA-1a76f195-1
0.403
BEN-DND-c852c98b-6
0.403
ERI-UCB-8d4e5055-4
0.401
PET-UNK-ee8352fa-4
0.401
BEN-DND-c852c98b-3
0.401
BEN-DND-c852c98b-5
0.401
ERI-UCB-b3e6b0c2-16
0.401
DAR-DIA-9e4459de-8
0.401
MAT-POS-14f31916-5
0.400
RAL-THA-b9d6aec1-2
0.400
DAR-DIA-9e4459de-6
0.399
DAR-DIA-9e4459de-9
0.399
ERI-UCB-b3e6b0c2-17
0.399
BEN-DND-c852c98b-1
0.399
ALF-EVA-5b152d2f-7
0.396
MAK-UNK-8be7dca9-7
0.395
EDJ-MED-ba7e64f2-1
0.393
PET-UNK-b38839dc-3
0.393
ALP-POS-ce760d3f-3
0.393
EDG-MED-5d232de5-1
0.393
ALP-POS-ce760d3f-7
0.393
ALP-POS-696356e4-1
0.393
EDG-MED-5d232de5-2
0.393
BEN-DND-4f474d93-2
0.393
BEN-DND-c852c98b-4
0.393
MAT-POS-419aafdb-1
0.392
ALP-POS-82da25a3-2
0.392
MAT-POS-8293a91a-3
0.392
RAL-THA-b9d6aec1-1
0.391
MIC-UNK-b904ca85-2
0.390
BEN-DND-c852c98b-7
0.389
ALF-EVA-ced740bd-1
0.389
MAK-UNK-8be7dca9-4
0.387
DAR-DIA-9e4459de-18
0.387
RAL-THA-b9d6aec1-3
0.387
MAT-POS-acfe5bae-1
0.387
MAT-POS-ee5e8e94-2
0.387
NAU-LAT-b7d8c353-8
0.387
MIC-UNK-b904ca85-1
0.387
MAK-UNK-8be7dca9-6
0.387
ERI-UCB-b3e6b0c2-7
0.386
MAK-UNK-f481d203-2
0.385
MAK-UNK-919546f0-1
0.385
MAK-UNK-f481d203-1
0.385
MAT-POS-14f31916-3
0.384