MMsINC Database Search


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MMsINC code: MMs02912754

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NCCCCCC)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H23NO/c1-4-5-6-7-10-16-15(17)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7594 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -4.55349	SlogP: 3.61354	Reactive groups: 0

Topological Properties
Globularity: 0.0135511	Sterimol/B1: 2.37666	Sterimol/B2: 2.51232	Sterimol/B3: 3.4089
Sterimol/B4: 4.80053	Sterimol/L: 18.2857

Surface and Volume Properties
Accessible surface: 533.997	Positive charged surface: 369.807	Negative charged surface: 164.19	Volume: 262.75
Hydrophobic surface: 467.195	Hydrophilic surface: 66.802

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.