MMsINC Database Search


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MMsINC code: MMs00653600

Type: Neutral
Formula: C₁₇H₁₆FNO

SMILES:

Fc1ccccc1C(=O)N1CCCc2cc(ccc12)C

InChI:

InChI=1/C17H16FNO/c1-12-8-9-16-13(11-12)5-4-10-19(16)17(20)14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3081 kcal/mol

Physical Properties
Molecular Weight: 269.319 g/mol	logS: -4.40342	SlogP: 3.72709	Reactive groups: 0

Topological Properties
Globularity: 0.0602564	Sterimol/B1: 3.17709	Sterimol/B2: 3.26538	Sterimol/B3: 3.47076
Sterimol/B4: 5.73551	Sterimol/L: 15.1823

Surface and Volume Properties
Accessible surface: 488.947	Positive charged surface: 291.058	Negative charged surface: 197.888	Volume: 261.375
Hydrophobic surface: 466.577	Hydrophilic surface: 22.37

Pharmacophoric Properties
Hydrogen bond donors: 0	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.