MMsINC Database Search


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MMsINC code: MMs02171628

Type: Neutral
Formula: C₁₅H₁₆O₈

SMILES:

o1c(ccc1COCOCc1oc(cc1)C(OC)=O)C(OC)=O

InChI:

InChI=1/C15H16O8/c1-18-14(16)12-5-3-10(22-12)7-20-9-21-8-11-4-6-13(23-11)15(17)19-2/h3-6H,7-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0419 kcal/mol

Physical Properties
Molecular Weight: 324.285 g/mol	logS: -3.68956	SlogP: 2.6695	Reactive groups: 0

Topological Properties
Globularity: 0.015687	Sterimol/B1: 2.98903	Sterimol/B2: 3.19151	Sterimol/B3: 3.78901
Sterimol/B4: 4.77154	Sterimol/L: 20.9201

Surface and Volume Properties
Accessible surface: 609.424	Positive charged surface: 417.354	Negative charged surface: 192.07	Volume: 293.375
Hydrophobic surface: 444.952	Hydrophilic surface: 164.472

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.