MMsINC Database Search


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MMsINC code: MMs00936080

Type: Neutral
Formula: C₁₁H₇FO₃

SMILES:

Fc1cc2C=C(C(=O)C)C(Oc2cc1)=O

InChI:

InChI=1/C11H7FO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2797 kcal/mol

Physical Properties
Molecular Weight: 206.172 g/mol	logS: -3.41428	SlogP: 1.7171	Reactive groups: 1

Topological Properties
Globularity: 0.0132923	Sterimol/B1: 2.32099	Sterimol/B2: 2.42322	Sterimol/B3: 3.82793
Sterimol/B4: 4.05911	Sterimol/L: 12.3301

Surface and Volume Properties
Accessible surface: 370.819	Positive charged surface: 181.616	Negative charged surface: 189.203	Volume: 175.875
Hydrophobic surface: 280.924	Hydrophilic surface: 89.895

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.