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MMsINC code: MMs02306928

Type: Neutral
Formula: C₁₄H₁₂O₃

SMILES:

OC(c1ccc(cc1)C(O)=O)c1ccccc1

InChI:

InChI=1/C14H12O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15H,(H,16,17)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.225 kcal/mol

Physical Properties
Molecular Weight: 228.247 g/mol	logS: -2.8932	SlogP: 2.562	Reactive groups: 0

Topological Properties
Globularity: 0.154417	Sterimol/B1: 2.24914	Sterimol/B2: 3.57226	Sterimol/B3: 4.08655
Sterimol/B4: 5.75298	Sterimol/L: 13.2291

Surface and Volume Properties
Accessible surface: 437.127	Positive charged surface: 226.515	Negative charged surface: 210.611	Volume: 218.75
Hydrophobic surface: 301.285	Hydrophilic surface: 135.842

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02306929
NCID-ZINC01670917