MMsINC Database Search


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MMsINC code: MMs01311966

Type: Neutral
Formula: C₁₄H₁₀F₂N₂O

SMILES:

FC(F)Oc1ccc(cc1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C14H10F2N2O/c15-14(16)19-10-7-5-9(6-8-10)13-17-11-3-1-2-4-12(11)18-13/h1-8,14H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6614 kcal/mol

Physical Properties
Molecular Weight: 260.243 g/mol	logS: -4.62449	SlogP: 4.2512	Reactive groups: 0

Topological Properties
Globularity: 0.00608891	Sterimol/B1: 2.63704	Sterimol/B2: 2.6391	Sterimol/B3: 3.18361
Sterimol/B4: 5.03735	Sterimol/L: 15.8565

Surface and Volume Properties
Accessible surface: 463.608	Positive charged surface: 233.142	Negative charged surface: 230.466	Volume: 229.125
Hydrophobic surface: 341.564	Hydrophilic surface: 122.044

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.