MMsINC Database Search


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MMsINC code: MMs02849575

Type: Neutral
Formula: C₁₂H₁₃FO₂

SMILES:

Fc1ccc(cc1)C(=O)CCCC(=O)C

InChI:

InChI=1/C12H13FO2/c1-9(14)3-2-4-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0478 kcal/mol

Physical Properties
Molecular Weight: 208.232 g/mol	logS: -2.28909	SlogP: 2.7677	Reactive groups: 1

Topological Properties
Globularity: 0.0171641	Sterimol/B1: 2.37635	Sterimol/B2: 2.51217	Sterimol/B3: 3.65029
Sterimol/B4: 4.17712	Sterimol/L: 15.2564

Surface and Volume Properties
Accessible surface: 435.675	Positive charged surface: 249.05	Negative charged surface: 186.625	Volume: 202.125
Hydrophobic surface: 364.83	Hydrophilic surface: 70.845

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.