MMsINC Database Search


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MMsINC code: MMs01273779

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

Fc1c(F)c(F)ccc1NC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C14H10F3NO2/c1-20-9-4-2-3-8(7-9)14(19)18-11-6-5-10(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)=75.7314 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -4.29019	SlogP: 3.3648	Reactive groups: 0

Topological Properties
Globularity: 0.0147906	Sterimol/B1: 2.28972	Sterimol/B2: 2.86666	Sterimol/B3: 3.02025
Sterimol/B4: 5.1983	Sterimol/L: 16.0239

Surface and Volume Properties
Accessible surface: 472.853	Positive charged surface: 249.715	Negative charged surface: 223.138	Volume: 233.75
Hydrophobic surface: 428.636	Hydrophilic surface: 44.217

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.