MMsINC Database Search


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MMsINC code: MMs01287171

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

FC(F)Oc1cc(ccc1)C(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C16H15F2NO2/c1-10-6-7-14(11(2)8-10)19-15(20)12-4-3-5-13(9-12)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7364 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -4.12351	SlogP: 4.57704	Reactive groups: 0

Topological Properties
Globularity: 0.0196196	Sterimol/B1: 2.6495	Sterimol/B2: 2.76242	Sterimol/B3: 3.06613
Sterimol/B4: 5.51523	Sterimol/L: 16.7718

Surface and Volume Properties
Accessible surface: 522.184	Positive charged surface: 277.409	Negative charged surface: 244.775	Volume: 267
Hydrophobic surface: 402.512	Hydrophilic surface: 119.672

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.