MMsINC Database Search


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MMsINC code: MMs03276737

Type: Neutral
Formula: C₂₀H₃₃NO₂

SMILES:

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

InChI:

InChI=1/C20H33NO2/c1-4-6-8-10-16-21(17-11-9-7-5-2)20(22)18-12-14-19(23-3)15-13-18/h12-15H,4-11,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6124 kcal/mol

Physical Properties
Molecular Weight: 319.489 g/mol	logS: -5.62468	SlogP: 5.298	Reactive groups: 0

Topological Properties
Globularity: 0.0447136	Sterimol/B1: 2.44186	Sterimol/B2: 4.44281	Sterimol/B3: 6.81543
Sterimol/B4: 6.99542	Sterimol/L: 18.5082

Surface and Volume Properties
Accessible surface: 675.175	Positive charged surface: 509.3	Negative charged surface: 165.874	Volume: 358.375
Hydrophobic surface: 588.332	Hydrophilic surface: 86.843

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.