MMsINC Database Search


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MMsINC code: MMs01322431

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

FC(F)Oc1ccc(NC(=O)c2cccc(C)c2C)cc1

InChI:

InChI=1/C16H15F2NO2/c1-10-4-3-5-14(11(10)2)15(20)19-12-6-8-13(9-7-12)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)=98.6686 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -4.43696	SlogP: 4.57704	Reactive groups: 0

Topological Properties
Globularity: 0.0259084	Sterimol/B1: 2.86181	Sterimol/B2: 2.96278	Sterimol/B3: 3.29456
Sterimol/B4: 5.71087	Sterimol/L: 16.9091

Surface and Volume Properties
Accessible surface: 510.216	Positive charged surface: 277.057	Negative charged surface: 233.16	Volume: 265
Hydrophobic surface: 396.395	Hydrophilic surface: 113.821

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.