MMsINC Database Search


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MMsINC code: MMs02683936

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1cc(NC(=O)CCC2CCCC2)ccc1

InChI:

InChI=1/C14H18FNO/c15-12-6-3-7-13(10-12)16-14(17)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.751 kcal/mol

Physical Properties
Molecular Weight: 235.302 g/mol	logS: -4.56514	SlogP: 3.7346	Reactive groups: 0

Topological Properties
Globularity: 0.0369105	Sterimol/B1: 2.5404	Sterimol/B2: 3.18081	Sterimol/B3: 3.29606
Sterimol/B4: 5.24782	Sterimol/L: 15.7224

Surface and Volume Properties
Accessible surface: 484.695	Positive charged surface: 322.427	Negative charged surface: 162.268	Volume: 237.875
Hydrophobic surface: 442.779	Hydrophilic surface: 41.916

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.