MMsINC Database Search


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MMsINC code: MMs00592024

Type: Neutral
Formula: C₁₁H₇FO₃

SMILES:

Fc1ccc(OC(=O)c2occc2)cc1

InChI:

InChI=1/C11H7FO3/c12-8-3-5-9(6-4-8)15-11(13)10-2-1-7-14-10/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2349 kcal/mol

Physical Properties
Molecular Weight: 206.172 g/mol	logS: -3.54549	SlogP: 2.6379	Reactive groups: 0

Topological Properties
Globularity: 0.0536469	Sterimol/B1: 2.90809	Sterimol/B2: 3.23653	Sterimol/B3: 3.40284
Sterimol/B4: 3.84637	Sterimol/L: 13.8107

Surface and Volume Properties
Accessible surface: 397.563	Positive charged surface: 180.792	Negative charged surface: 216.771	Volume: 181.125
Hydrophobic surface: 349.396	Hydrophilic surface: 48.167

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.