MMsINC Database Search


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MMsINC code: MMs00012018

Type: Neutral
Formula: C₁₁H₁₃FO

SMILES:

Fc1ccc(cc1)C(=O)CCCC

InChI:

InChI=1/C11H13FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1398 kcal/mol

Physical Properties
Molecular Weight: 180.222 g/mol	logS: -3.22434	SlogP: 3.1986	Reactive groups: 0

Topological Properties
Globularity: 0.0226333	Sterimol/B1: 2.37617	Sterimol/B2: 2.37645	Sterimol/B3: 3.77104
Sterimol/B4: 4.00634	Sterimol/L: 14.0617

Surface and Volume Properties
Accessible surface: 399.439	Positive charged surface: 241.541	Negative charged surface: 157.899	Volume: 184.125
Hydrophobic surface: 344.431	Hydrophilic surface: 55.008

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.