MMsINC Database Search


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MMsINC code: MMs00261697

Type: Neutral
Formula: C₁₃H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NCCCCCC

InChI:

InChI=1/C13H18FNO/c1-2-3-4-5-10-15-13(16)11-6-8-12(14)9-7-11/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)=22.3838 kcal/mol

Physical Properties
Molecular Weight: 223.291 g/mol	logS: -3.90063	SlogP: 3.1358	Reactive groups: 0

Topological Properties
Globularity: 0.0152011	Sterimol/B1: 2.3752	Sterimol/B2: 2.37657	Sterimol/B3: 3.49543
Sterimol/B4: 4.73586	Sterimol/L: 17.4206

Surface and Volume Properties
Accessible surface: 486.166	Positive charged surface: 313.818	Negative charged surface: 172.348	Volume: 232.875
Hydrophobic surface: 418.617	Hydrophilic surface: 67.549

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.