MMsINC Database Search


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MMsINC code: MMs02146124

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O

SMILES:

Fc1ccccc1CNC(=O)Nc1ccccc1F

InChI:

InChI=1/C14H12F2N2O/c15-11-6-2-1-5-10(11)9-17-14(19)18-13-8-4-3-7-12(13)16/h1-8H,9H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.7801 kcal/mol

Physical Properties
Molecular Weight: 262.259 g/mol	logS: -3.78605	SlogP: 3.5529	Reactive groups: 0

Topological Properties
Globularity: 0.0540406	Sterimol/B1: 2.73054	Sterimol/B2: 3.19687	Sterimol/B3: 4.43686
Sterimol/B4: 4.5217	Sterimol/L: 16.2395

Surface and Volume Properties
Accessible surface: 487.26	Positive charged surface: 260.697	Negative charged surface: 226.563	Volume: 236.25
Hydrophobic surface: 419.992	Hydrophilic surface: 67.268

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.