MMsINC Database Search


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MMsINC code: MMs03509095

Type: Neutral
Formula: C₁₈H₂₉NO₂

SMILES:

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

InChI:

InChI=1/C18H29NO2/c1-4-6-8-14-19(15-9-7-5-2)18(20)16-10-12-17(21-3)13-11-16/h10-13H,4-9,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4053 kcal/mol

Physical Properties
Molecular Weight: 291.435 g/mol	logS: -4.59424	SlogP: 4.5178	Reactive groups: 0

Topological Properties
Globularity: 0.0461176	Sterimol/B1: 2.8894	Sterimol/B2: 3.64733	Sterimol/B3: 5.98447
Sterimol/B4: 6.96725	Sterimol/L: 17.6187

Surface and Volume Properties
Accessible surface: 606.518	Positive charged surface: 454.757	Negative charged surface: 151.761	Volume: 322
Hydrophobic surface: 522.784	Hydrophilic surface: 83.734

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.