MMsINC Database Search


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MMsINC code: MMs01698507

Type: Neutral
Formula: C₁₇H₁₆FNO

SMILES:

Fc1ccc(NC(=O)c2cc3CCCCc3cc2)cc1

InChI:

InChI=1/C17H16FNO/c18-15-7-9-16(10-8-15)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0393 kcal/mol

Physical Properties
Molecular Weight: 269.319 g/mol	logS: -5.52609	SlogP: 3.95674	Reactive groups: 0

Topological Properties
Globularity: 0.0237372	Sterimol/B1: 2.38151	Sterimol/B2: 2.80855	Sterimol/B3: 3.62891
Sterimol/B4: 5.23253	Sterimol/L: 16.7567

Surface and Volume Properties
Accessible surface: 498.204	Positive charged surface: 299.034	Negative charged surface: 199.171	Volume: 262.375
Hydrophobic surface: 461.424	Hydrophilic surface: 36.78

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