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MMsINC code: MMs02370527

Type: Neutral
Formula: C₁₄H₁₂O₄

SMILES:

O(Cc1ccccc1)c1cc(O)c(cc1)C(O)=O

InChI:

InChI=1/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0257 kcal/mol

Physical Properties
Molecular Weight: 244.246 g/mol	logS: -2.81061	SlogP: 2.9358	Reactive groups: 0

Topological Properties
Globularity: 0.0592123	Sterimol/B1: 3.59077	Sterimol/B2: 3.66402	Sterimol/B3: 3.78604
Sterimol/B4: 3.9194	Sterimol/L: 15.8202

Surface and Volume Properties
Accessible surface: 470.827	Positive charged surface: 268.378	Negative charged surface: 202.449	Volume: 228.875
Hydrophobic surface: 327.797	Hydrophilic surface: 143.03

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02370528
NCID-ZINC01768378