MMsINC Database Search


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MMsINC code: MMs02137146

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O

SMILES:

Fc1cc(F)ccc1C(=O)NNc1cc(ccc1)C

InChI:

InChI=1/C14H12F2N2O/c1-9-3-2-4-11(7-9)17-18-14(19)12-6-5-10(15)8-13(12)16/h2-8,17H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2345 kcal/mol

Physical Properties
Molecular Weight: 262.259 g/mol	logS: -4.11604	SlogP: 3.03012	Reactive groups: 0

Topological Properties
Globularity: 0.00324286	Sterimol/B1: 2.10306	Sterimol/B2: 2.51218	Sterimol/B3: 3.40349
Sterimol/B4: 5.20929	Sterimol/L: 16.0086

Surface and Volume Properties
Accessible surface: 480.611	Positive charged surface: 233.762	Negative charged surface: 246.849	Volume: 237.25
Hydrophobic surface: 420.627	Hydrophilic surface: 59.984

Pharmacophoric Properties
Hydrogen bond donors: 2	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.