MMsINC Database Search


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MMsINC code: MMs01433781

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccc(cc2C)C)ccc1F

InChI:

InChI=1/C17H15F2NO3/c1-10-3-5-13(11(2)7-10)17(22)23-9-16(21)20-12-4-6-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3452 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -5.30084	SlogP: 3.37714	Reactive groups: 0

Topological Properties
Globularity: 0.013672	Sterimol/B1: 2.46513	Sterimol/B2: 2.5362	Sterimol/B3: 2.95717
Sterimol/B4: 6.40926	Sterimol/L: 18.0267

Surface and Volume Properties
Accessible surface: 562.469	Positive charged surface: 313.539	Negative charged surface: 248.93	Volume: 286.25
Hydrophobic surface: 490.136	Hydrophilic surface: 72.333

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.