MMsINC Database Search


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MMsINC code: MMs00806446

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1ccccc1C(=O)NCCOc1ccc(F)cc1

InChI:

InChI=1/C15H13F2NO2/c16-11-5-7-12(8-6-11)20-10-9-18-15(19)13-3-1-2-4-14(13)17/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4229 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -3.96569	SlogP: 2.7736	Reactive groups: 0

Topological Properties
Globularity: 0.0467941	Sterimol/B1: 2.44235	Sterimol/B2: 2.5353	Sterimol/B3: 4.13393
Sterimol/B4: 6.46826	Sterimol/L: 16.2397

Surface and Volume Properties
Accessible surface: 508.33	Positive charged surface: 274.995	Negative charged surface: 233.335	Volume: 251.75
Hydrophobic surface: 467.48	Hydrophilic surface: 40.85

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.