MMsINC Database Search


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MMsINC code: MMs01581271

Type: Neutral
Formula: C₁₇H₁₆FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)CCC(=O)c1ccccc1

InChI:

InChI=1/C17H16FNO2/c18-15-8-6-13(7-9-15)12-19-17(21)11-10-16(20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.001 kcal/mol

Physical Properties
Molecular Weight: 285.318 g/mol	logS: -3.68908	SlogP: 3.3714	Reactive groups: 0

Topological Properties
Globularity: 0.0341026	Sterimol/B1: 3.49496	Sterimol/B2: 3.61939	Sterimol/B3: 3.61954
Sterimol/B4: 4.26928	Sterimol/L: 19.0127

Surface and Volume Properties
Accessible surface: 554.895	Positive charged surface: 311.549	Negative charged surface: 243.347	Volume: 277.5
Hydrophobic surface: 471.176	Hydrophilic surface: 83.719

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.