MMsINC Database Search


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MMsINC code: MMs01338621

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1cc(C)c(cc1)C)=O

InChI:

InChI=1/C17H16FNO3/c1-11-7-8-13(9-12(11)2)19-16(20)10-22-17(21)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8452 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -5.00586	SlogP: 3.23804	Reactive groups: 0

Topological Properties
Globularity: 0.0170533	Sterimol/B1: 2.70556	Sterimol/B2: 2.73608	Sterimol/B3: 3.21422
Sterimol/B4: 5.68476	Sterimol/L: 17.8014

Surface and Volume Properties
Accessible surface: 559.082	Positive charged surface: 320.385	Negative charged surface: 238.697	Volume: 284.25
Hydrophobic surface: 476.634	Hydrophilic surface: 82.448

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.