MMsINC Database Search


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MMsINC code: MMs00356414

Type: Neutral
Formula: C₁₄H₁₉F₂NO

SMILES:

Fc1cc(NC(=O)C(CCCC)CC)ccc1F

InChI:

InChI=1/C14H19F2NO/c1-3-5-6-10(4-2)14(18)17-11-7-8-12(15)13(16)9-11/h7-10H,3-6H2,1-2H3,(H,17,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.161 kcal/mol

Physical Properties
Molecular Weight: 255.308 g/mol	logS: -4.64871	SlogP: 4.1197	Reactive groups: 0

Topological Properties
Globularity: 0.102313	Sterimol/B1: 2.1394	Sterimol/B2: 3.11941	Sterimol/B3: 4.21885
Sterimol/B4: 8.78407	Sterimol/L: 13.9223

Surface and Volume Properties
Accessible surface: 503.737	Positive charged surface: 314.365	Negative charged surface: 189.372	Volume: 249.875
Hydrophobic surface: 433.266	Hydrophilic surface: 70.471

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.