MMsINC Database Search


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MMsINC code: MMs01455151

Type: Neutral
Formula: C₁₅H₁₄O₆

SMILES:

o1c(ccc1COC(=O)c1cccc(C)c1O)C(OC)=O

InChI:

InChI=1/C15H14O6/c1-9-4-3-5-11(13(9)16)14(17)20-8-10-6-7-12(21-10)15(18)19-2/h3-7,16H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4001 kcal/mol

Physical Properties
Molecular Weight: 290.271 g/mol	logS: -3.61925	SlogP: 2.70362	Reactive groups: 0

Topological Properties
Globularity: 0.0665163	Sterimol/B1: 3.1445	Sterimol/B2: 3.78287	Sterimol/B3: 4.30043
Sterimol/B4: 4.60616	Sterimol/L: 17.3959

Surface and Volume Properties
Accessible surface: 546.61	Positive charged surface: 350.82	Negative charged surface: 195.79	Volume: 266.625
Hydrophobic surface: 414.271	Hydrophilic surface: 132.339

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.