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MMsINC code: MMs00089291

Type: Neutral
Formula: C₁₇H₁₂O₃

SMILES:

O1C=C(C(=O)c2ccc(cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C17H12O3/c1-11-6-8-12(9-7-11)16(18)14-10-20-15-5-3-2-4-13(15)17(14)19/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0492 kcal/mol

Physical Properties
Molecular Weight: 264.28 g/mol	logS: -5.06455	SlogP: 3.33692	Reactive groups: 1

Topological Properties
Globularity: 0.0786679	Sterimol/B1: 2.52959	Sterimol/B2: 2.99098	Sterimol/B3: 4.18493
Sterimol/B4: 6.14524	Sterimol/L: 15.1549

Surface and Volume Properties
Accessible surface: 486.606	Positive charged surface: 246.368	Negative charged surface: 240.238	Volume: 252.75
Hydrophobic surface: 422.788	Hydrophilic surface: 63.818

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.