MMsINC Database Search


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MMsINC code: MMs02279340

Type: Neutral
Formula: C₁₂H₁₀O₅

SMILES:

O1c2c(c(O)c(cc2)C(OC)=O)C(=CC1=O)C

InChI:

InChI=1/C12H10O5/c1-6-5-9(13)17-8-4-3-7(12(15)16-2)11(14)10(6)8/h3-5,14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4124 kcal/mol

Physical Properties
Molecular Weight: 234.207 g/mol	logS: -3.12118	SlogP: 1.5011	Reactive groups: 0

Topological Properties
Globularity: 0.0155253	Sterimol/B1: 1.969	Sterimol/B2: 2.38196	Sterimol/B3: 2.39951
Sterimol/B4: 7.02939	Sterimol/L: 13.6738

Surface and Volume Properties
Accessible surface: 420.727	Positive charged surface: 264.404	Negative charged surface: 156.323	Volume: 204.125
Hydrophobic surface: 293.457	Hydrophilic surface: 127.27

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.