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MMsINC code: MMs03806953

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CC(=O)C(O)=O

InChI:

InChI=1/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1214 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.56538	SlogP: 2.72817	Reactive groups: 0

Topological Properties
Globularity: 0.0476175	Sterimol/B1: 3.57036	Sterimol/B2: 3.61655	Sterimol/B3: 3.80052
Sterimol/B4: 3.82063	Sterimol/L: 18.0021

Surface and Volume Properties
Accessible surface: 526.526	Positive charged surface: 292.123	Negative charged surface: 234.403	Volume: 256.875
Hydrophobic surface: 380.964	Hydrophilic surface: 145.562

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03806954
PUBCHEM-ZINC06580259