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MMsINC code: MMs02844960

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O(C(C(O)=O)c1ccccc1)c1ccccc1OC

InChI:

InChI=1/C15H14O4/c1-18-12-9-5-6-10-13(12)19-14(15(16)17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,16,17)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1116 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.24938	SlogP: 2.9954	Reactive groups: 0

Topological Properties
Globularity: 0.099435	Sterimol/B1: 2.51002	Sterimol/B2: 3.58359	Sterimol/B3: 3.92027
Sterimol/B4: 7.38132	Sterimol/L: 13.3759

Surface and Volume Properties
Accessible surface: 490.723	Positive charged surface: 296.132	Negative charged surface: 194.591	Volume: 246.25
Hydrophobic surface: 402.367	Hydrophilic surface: 88.356

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02844961
PUBCHEM-ZINC02003666