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MMsINC code: MMs02875318

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

OC(=O)C(=O)Cc1ccccc1-c1ccccc1C

InChI:

InChI=1/C16H14O3/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(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)=79.8053 kcal/mol

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

Topological Properties
Globularity: 0.366963	Sterimol/B1: 2.15866	Sterimol/B2: 2.84391	Sterimol/B3: 6.19241
Sterimol/B4: 7.37385	Sterimol/L: 11.9204

Surface and Volume Properties
Accessible surface: 459.471	Positive charged surface: 257.944	Negative charged surface: 200.689	Volume: 247.375
Hydrophobic surface: 337.195	Hydrophilic surface: 122.276

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

MMs02875319
PUBCHEM-ZINC02136234