MMsINC Database Search


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MMsINC code: MMs00599115

Type: Neutral
Formula: C₁₀H₁₀F₃NO

SMILES:

FC(F)(F)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0544 kcal/mol

Physical Properties
Molecular Weight: 217.19 g/mol	logS: -2.94121	SlogP: 2.9415	Reactive groups: 0

Topological Properties
Globularity: 0.146316	Sterimol/B1: 2.27714	Sterimol/B2: 2.354	Sterimol/B3: 4.25143
Sterimol/B4: 5.5132	Sterimol/L: 12.3591

Surface and Volume Properties
Accessible surface: 399.571	Positive charged surface: 164.671	Negative charged surface: 234.9	Volume: 183.75
Hydrophobic surface: 231.737	Hydrophilic surface: 167.834

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.