MMsINC Database Search


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MMsINC code: MMs01522984

Type: Neutral
Formula: C₁₆H₁₅F₂NO₄

SMILES:

FC(F)Oc1ccc(cc1OC)C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C16H15F2NO4/c1-21-12-5-3-4-11(9-12)19-15(20)10-6-7-13(23-16(17)18)14(8-10)22-2/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)=103.645 kcal/mol

Physical Properties
Molecular Weight: 323.295 g/mol	logS: -3.58988	SlogP: 3.9774	Reactive groups: 0

Topological Properties
Globularity: 0.0256338	Sterimol/B1: 2.48365	Sterimol/B2: 3.67717	Sterimol/B3: 4.24661
Sterimol/B4: 5.73105	Sterimol/L: 16.851

Surface and Volume Properties
Accessible surface: 546.931	Positive charged surface: 347.348	Negative charged surface: 199.583	Volume: 281.375
Hydrophobic surface: 405.202	Hydrophilic surface: 141.729

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.