MMsINC Database Search


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MMsINC code: MMs01632837

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccc(OCC(=O)Nc2cc(cc(c2)C)C)cc1

InChI:

InChI=1/C16H16FNO2/c1-11-7-12(2)9-14(8-11)18-16(19)10-20-15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7996 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -4.67451	SlogP: 3.46004	Reactive groups: 0

Topological Properties
Globularity: 0.0195024	Sterimol/B1: 2.28969	Sterimol/B2: 2.30282	Sterimol/B3: 3.19167
Sterimol/B4: 6.69163	Sterimol/L: 17.207

Surface and Volume Properties
Accessible surface: 530.009	Positive charged surface: 307.806	Negative charged surface: 222.203	Volume: 263.25
Hydrophobic surface: 475.9	Hydrophilic surface: 54.109

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.