MMsINC Database Search


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MMsINC code: MMs03508877

Type: Neutral
Formula: C₁₃H₁₈FNO

SMILES:

Fc1ccc(NC(=O)CCCCCC)cc1

InChI:

InChI=1/C13H18FNO/c1-2-3-4-5-6-13(16)15-12-9-7-11(14)8-10-12/h7-10H,2-6H2,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1114 kcal/mol

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

Topological Properties
Globularity: 0.0227809	Sterimol/B1: 2.50542	Sterimol/B2: 3.13673	Sterimol/B3: 3.41362
Sterimol/B4: 4.36255	Sterimol/L: 17.389

Surface and Volume Properties
Accessible surface: 488.576	Positive charged surface: 323.999	Negative charged surface: 164.577	Volume: 230.625
Hydrophobic surface: 422.647	Hydrophilic surface: 65.929

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.