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MMsINC code: MMs02544965

Type: Neutral
Formula: C₁₅H₁₄O₅

SMILES:

o1c(ccc1COc1ccc(cc1)C(=O)C)C(OC)=O

InChI:

InChI=1/C15H14O5/c1-10(16)11-3-5-12(6-4-11)19-9-13-7-8-14(20-13)15(17)18-2/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0105 kcal/mol

Physical Properties
Molecular Weight: 274.272 g/mol	logS: -3.80165	SlogP: 3.1142	Reactive groups: 0

Topological Properties
Globularity: 0.056118	Sterimol/B1: 2.24769	Sterimol/B2: 4.07084	Sterimol/B3: 4.99931
Sterimol/B4: 5.12081	Sterimol/L: 17.8507

Surface and Volume Properties
Accessible surface: 536.972	Positive charged surface: 321.52	Negative charged surface: 215.452	Volume: 257.375
Hydrophobic surface: 423.898	Hydrophilic surface: 113.074

Pharmacophoric Properties
Hydrogen bond donors: 0	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.