MMsINC Database Search


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MMsINC code: MMs02251755

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)C(CCC)(CCC)C(=O)N

InChI:

InChI=1/C15H23NO2/c1-4-10-15(11-5-2,14(16)17)12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.925 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -4.21327	SlogP: 3.0185	Reactive groups: 0

Topological Properties
Globularity: 0.255394	Sterimol/B1: 2.02059	Sterimol/B2: 3.50028	Sterimol/B3: 5.07655
Sterimol/B4: 7.63764	Sterimol/L: 14.0085

Surface and Volume Properties
Accessible surface: 496.247	Positive charged surface: 356.65	Negative charged surface: 139.597	Volume: 265.625
Hydrophobic surface: 362.666	Hydrophilic surface: 133.581

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.