MMsINC Database Search


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MMsINC code: MMs02551746

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₂

SMILES:

Fc1cc(F)ccc1OCc1cc(ccc1)C(=O)NN

InChI:

InChI=1/C14H12F2N2O2/c15-11-4-5-13(12(16)7-11)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9526 kcal/mol

Physical Properties
Molecular Weight: 278.258 g/mol	logS: -4.02517	SlogP: 2.4137	Reactive groups: 0

Topological Properties
Globularity: 0.0624171	Sterimol/B1: 2.44203	Sterimol/B2: 3.5501	Sterimol/B3: 4.01578
Sterimol/B4: 6.23534	Sterimol/L: 16.6718

Surface and Volume Properties
Accessible surface: 496.839	Positive charged surface: 258.391	Negative charged surface: 238.449	Volume: 243.875
Hydrophobic surface: 361.591	Hydrophilic surface: 135.248

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.