MMsINC Database Search


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MMsINC code: MMs00869524

Type: Neutral
Formula: C₁₄H₉FO₂

SMILES:

Fc1ccc(cc1)C(=O)C(=O)c1ccccc1

InChI:

InChI=1/C14H9FO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2809 kcal/mol

Physical Properties
Molecular Weight: 228.222 g/mol	logS: -4.08402	SlogP: 2.8913	Reactive groups: 1

Topological Properties
Globularity: 0.112566	Sterimol/B1: 2.24337	Sterimol/B2: 3.26074	Sterimol/B3: 4.15211
Sterimol/B4: 4.8227	Sterimol/L: 13.1013

Surface and Volume Properties
Accessible surface: 426.79	Positive charged surface: 192.799	Negative charged surface: 233.991	Volume: 211.375
Hydrophobic surface: 363.792	Hydrophilic surface: 62.998

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.