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MMsINC code: MMs02844956

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C(C(O)=O)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C15H14O3/c1-11-7-5-6-10-13(11)18-14(15(16)17)12-8-3-2-4-9-12/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)=73.7188 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.35947	SlogP: 3.29522	Reactive groups: 0

Topological Properties
Globularity: 0.112467	Sterimol/B1: 2.1644	Sterimol/B2: 3.65238	Sterimol/B3: 3.85427
Sterimol/B4: 6.82478	Sterimol/L: 13.7437

Surface and Volume Properties
Accessible surface: 470.835	Positive charged surface: 259.052	Negative charged surface: 211.783	Volume: 238.75
Hydrophobic surface: 391.776	Hydrophilic surface: 79.059

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02844957
PUBCHEM-ZINC02003664