MMsINC Database Search


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MMsINC code: MMs00610989

Type: Neutral
Formula: C₁₅H₁₉F₂NO

SMILES:

Fc1cc(NC(=O)CCC2CCCCC2)ccc1F

InChI:

InChI=1/C15H19F2NO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5794 kcal/mol

Physical Properties
Molecular Weight: 267.319 g/mol	logS: -5.37534	SlogP: 4.2638	Reactive groups: 0

Topological Properties
Globularity: 0.028977	Sterimol/B1: 2.81907	Sterimol/B2: 2.93515	Sterimol/B3: 3.23486
Sterimol/B4: 4.83901	Sterimol/L: 16.7971

Surface and Volume Properties
Accessible surface: 506.476	Positive charged surface: 328.928	Negative charged surface: 177.548	Volume: 255.25
Hydrophobic surface: 464.406	Hydrophilic surface: 42.07

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.