MMsINC Database Search


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MMsINC code: MMs02867385

Type: Neutral
Formula: C₁₁H₁₄FNO

SMILES:

Fc1ccc(cc1)C(=O)NCCCC

InChI:

InChI=1/C11H14FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.3438 kcal/mol

Physical Properties
Molecular Weight: 195.237 g/mol	logS: -2.87019	SlogP: 2.3556	Reactive groups: 0

Topological Properties
Globularity: 0.0175584	Sterimol/B1: 2.37611	Sterimol/B2: 2.37612	Sterimol/B3: 3.42274
Sterimol/B4: 4.67421	Sterimol/L: 15.009

Surface and Volume Properties
Accessible surface: 426.626	Positive charged surface: 264.514	Negative charged surface: 162.113	Volume: 198.5
Hydrophobic surface: 359.745	Hydrophilic surface: 66.881

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.