MMsINC Database Search


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MMsINC code: MMs03276649

Type: Neutral
Formula: C₁₃H₁₈FNO

SMILES:

Fc1ccccc1NC(=O)CCCCCC

InChI:

InChI=1/C13H18FNO/c1-2-3-4-5-10-13(16)15-12-9-7-6-8-11(12)14/h6-9H,2-5,10H2,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.037 kcal/mol

Physical Properties
Molecular Weight: 223.291 g/mol	logS: -4.15196	SlogP: 3.7346	Reactive groups: 0

Topological Properties
Globularity: 0.0227274	Sterimol/B1: 2.50883	Sterimol/B2: 3.1475	Sterimol/B3: 3.46675
Sterimol/B4: 4.60049	Sterimol/L: 17.1327

Surface and Volume Properties
Accessible surface: 487.37	Positive charged surface: 324.598	Negative charged surface: 162.772	Volume: 230.125
Hydrophobic surface: 423.727	Hydrophilic surface: 63.643

Pharmacophoric Properties
Hydrogen bond donors: 1	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.