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MMsINC code: MMs02874194

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

OC(=O)C(=O)Cc1ccc(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C16H14O3/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15(17)16(18)19/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1169 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -4.6474	SlogP: 2.85819	Reactive groups: 0

Topological Properties
Globularity: 0.0338164	Sterimol/B1: 3.18174	Sterimol/B2: 3.27981	Sterimol/B3: 3.62677
Sterimol/B4: 3.628	Sterimol/L: 16.9653

Surface and Volume Properties
Accessible surface: 498.792	Positive charged surface: 256.953	Negative charged surface: 231.219	Volume: 249.375
Hydrophobic surface: 364.503	Hydrophilic surface: 134.289

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

MMs02874195
PUBCHEM-ZINC02127664