MMsINC Database Search


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MMsINC code: MMs00645053

Type: Neutral
Formula: C₁₅H₂₀FNO

SMILES:

Fc1ccc(cc1)CNC(=O)CC1CCCCC1

InChI:

InChI=1/C15H20FNO/c16-14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2816 kcal/mol

Physical Properties
Molecular Weight: 249.329 g/mol	logS: -4.50918	SlogP: 3.6787	Reactive groups: 0

Topological Properties
Globularity: 0.0552503	Sterimol/B1: 2.70796	Sterimol/B2: 2.71929	Sterimol/B3: 3.99337
Sterimol/B4: 4.96006	Sterimol/L: 16.6044

Surface and Volume Properties
Accessible surface: 503.996	Positive charged surface: 342.151	Negative charged surface: 161.844	Volume: 252.125
Hydrophobic surface: 459.922	Hydrophilic surface: 44.074

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.