MMsINC Database Search


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MMsINC code: MMs02512127

Type: Neutral
Formula: C₁₅H₁₂O₅

SMILES:

O1c2c(cc(OC)c(OC)c2O)C(=O)c2c1cccc2

InChI:

InChI=1/C15H12O5/c1-18-11-7-9-12(16)8-5-3-4-6-10(8)20-14(9)13(17)15(11)19-2/h3-7,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.876 kcal/mol

Physical Properties
Molecular Weight: 272.256 g/mol	logS: -3.74545	SlogP: 2.7461	Reactive groups: 0

Topological Properties
Globularity: 0.0223032	Sterimol/B1: 1.969	Sterimol/B2: 2.25203	Sterimol/B3: 2.92712
Sterimol/B4: 7.21592	Sterimol/L: 13.8241

Surface and Volume Properties
Accessible surface: 485.159	Positive charged surface: 341.99	Negative charged surface: 143.169	Volume: 243.625
Hydrophobic surface: 388.364	Hydrophilic surface: 96.795

Pharmacophoric Properties
Hydrogen bond donors: 1	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.