MMsINC Database Search


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MMsINC code: MMs01522967

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C16H15F2NO2/c17-16(18)21-14-8-6-13(7-9-14)15(20)19-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6106 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -3.49463	SlogP: 3.68037	Reactive groups: 0

Topological Properties
Globularity: 0.0412744	Sterimol/B1: 3.37333	Sterimol/B2: 3.61721	Sterimol/B3: 3.61773
Sterimol/B4: 4.48763	Sterimol/L: 18.2983

Surface and Volume Properties
Accessible surface: 535.179	Positive charged surface: 287.364	Negative charged surface: 247.815	Volume: 267.375
Hydrophobic surface: 402.65	Hydrophilic surface: 132.529

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.