MMsINC Database Search


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MMsINC code: MMs02861493

Type: Neutral
Formula: C₁₄H₂₀FNO₂

SMILES:

Fc1ccc(cc1)C(OCCCN(CC)CC)=O

InChI:

InChI=1/C14H20FNO2/c1-3-16(4-2)10-5-11-18-14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0524 kcal/mol

Physical Properties
Molecular Weight: 253.317 g/mol	logS: -2.81567	SlogP: 2.7144	Reactive groups: 0

Topological Properties
Globularity: 0.0444444	Sterimol/B1: 2.34711	Sterimol/B2: 3.09085	Sterimol/B3: 3.91584
Sterimol/B4: 6.07762	Sterimol/L: 16.0962

Surface and Volume Properties
Accessible surface: 530.712	Positive charged surface: 350.975	Negative charged surface: 179.736	Volume: 257
Hydrophobic surface: 446.354	Hydrophilic surface: 84.358

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02861494
PUBCHEM-ZINC02036885