MMsINC Database Search


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MMsINC code: MMs01273104

Type: Neutral
Formula: C₁₄H₁₀F₃NO

SMILES:

Fc1c(F)c(F)ccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C14H10F3NO/c1-8-2-4-9(5-3-8)14(19)18-11-7-6-10(15)12(16)13(11)17/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5652 kcal/mol

Physical Properties
Molecular Weight: 265.234 g/mol	logS: -4.71373	SlogP: 3.66462	Reactive groups: 0

Topological Properties
Globularity: 0.0146129	Sterimol/B1: 2.47567	Sterimol/B2: 2.55192	Sterimol/B3: 3.67318
Sterimol/B4: 4.17019	Sterimol/L: 15.4734

Surface and Volume Properties
Accessible surface: 460.494	Positive charged surface: 217.086	Negative charged surface: 243.408	Volume: 227
Hydrophobic surface: 424.478	Hydrophilic surface: 36.016

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.