MMsINC Database Search


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MMsINC code: MMs02348143

Type: Neutral
Formula: C₁₀H₁₁FO

SMILES:

Fc1cc(ccc1)CCC(=O)C

InChI:

InChI=1/C10H11FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,5-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.9475 kcal/mol

Physical Properties
Molecular Weight: 166.195 g/mol	logS: -1.93552	SlogP: 2.34727	Reactive groups: 1

Topological Properties
Globularity: 0.087365	Sterimol/B1: 2.39293	Sterimol/B2: 3.67642	Sterimol/B3: 3.80517
Sterimol/B4: 3.90605	Sterimol/L: 12.3907

Surface and Volume Properties
Accessible surface: 372.927	Positive charged surface: 208.791	Negative charged surface: 164.136	Volume: 167.25
Hydrophobic surface: 335.237	Hydrophilic surface: 37.69

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.