MMsINC Database Search


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MMsINC code: MMs03494508

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

O1c2c(-c3c(cccc3)C1=O)ccc(OC)c2O

InChI:

InChI=1/C14H10O4/c1-17-11-7-6-9-8-4-2-3-5-10(8)14(16)18-13(9)12(11)15/h2-7,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4408 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -4.37999	SlogP: 2.6004	Reactive groups: 0

Topological Properties
Globularity: 0.0104914	Sterimol/B1: 2.45299	Sterimol/B2: 2.45892	Sterimol/B3: 3.45671
Sterimol/B4: 5.51808	Sterimol/L: 14.2322

Surface and Volume Properties
Accessible surface: 433.778	Positive charged surface: 253.47	Negative charged surface: 169.647	Volume: 218.625
Hydrophobic surface: 318.972	Hydrophilic surface: 114.806

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.