MMsINC Database Search


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MMsINC code: MMs03276639

Type: Neutral
Formula: C₁₄H₁₈F₃NO

SMILES:

FC(F)(F)c1cc(NC(=O)CCCCCC)ccc1

InChI:

InChI=1/C14H18F3NO/c1-2-3-4-5-9-13(19)18-12-8-6-7-11(10-12)14(15,16)17/h6-8,10H,2-5,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.191 kcal/mol

Physical Properties
Molecular Weight: 273.298 g/mol	logS: -4.91353	SlogP: 4.9258	Reactive groups: 0

Topological Properties
Globularity: 0.0250306	Sterimol/B1: 2.80632	Sterimol/B2: 3.52956	Sterimol/B3: 3.8425
Sterimol/B4: 4.06566	Sterimol/L: 18.3306

Surface and Volume Properties
Accessible surface: 527.776	Positive charged surface: 304.536	Negative charged surface: 223.241	Volume: 255.125
Hydrophobic surface: 359.397	Hydrophilic surface: 168.379

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.