MMsINC Database Search


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MMsINC code: MMs01433893

Type: Neutral
Formula: C₁₅H₁₁F₄NO₂

SMILES:

Fc1c(OCC(=O)Nc2cc(ccc2)C)c(F)c(F)cc1F

InChI:

InChI=1/C15H11F4NO2/c1-8-3-2-4-9(5-8)20-12(21)7-22-15-13(18)10(16)6-11(17)14(15)19/h2-6H,7H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5481 kcal/mol

Physical Properties
Molecular Weight: 313.25 g/mol	logS: -5.08553	SlogP: 3.56892	Reactive groups: 0

Topological Properties
Globularity: 0.0322846	Sterimol/B1: 2.51434	Sterimol/B2: 2.65359	Sterimol/B3: 3.49043
Sterimol/B4: 5.53804	Sterimol/L: 16.9939

Surface and Volume Properties
Accessible surface: 521.193	Positive charged surface: 257.07	Negative charged surface: 264.123	Volume: 254.5
Hydrophobic surface: 466.499	Hydrophilic surface: 54.694

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.