MMsINC Database Search


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MMsINC code: MMs01511912

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

FC(F)Oc1cc(ccc1)C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C16H15F2NO2/c1-2-11-6-8-13(9-7-11)19-15(20)12-4-3-5-14(10-12)21-16(17)18/h3-10,16H,2H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9455 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -4.47826	SlogP: 4.52257	Reactive groups: 0

Topological Properties
Globularity: 0.0222507	Sterimol/B1: 2.30927	Sterimol/B2: 3.41143	Sterimol/B3: 3.72108
Sterimol/B4: 4.37764	Sterimol/L: 17.8634

Surface and Volume Properties
Accessible surface: 522.952	Positive charged surface: 283.963	Negative charged surface: 238.989	Volume: 267.625
Hydrophobic surface: 376.723	Hydrophilic surface: 146.229

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.