MMsINC Database Search


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MMsINC code: MMs02231157

Type: Neutral
Formula: C₁₈H₂₉NO

SMILES:

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

InChI:

InChI=1/C18H29NO/c1-5-7-13-19(14-8-6-2)18(20)17-11-9-16(10-12-17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8043 kcal/mol

Physical Properties
Molecular Weight: 275.436 g/mol	logS: -5.01778	SlogP: 4.8524	Reactive groups: 0

Topological Properties
Globularity: 0.0691094	Sterimol/B1: 2.97698	Sterimol/B2: 3.25354	Sterimol/B3: 4.24329
Sterimol/B4: 8.17811	Sterimol/L: 16.8701

Surface and Volume Properties
Accessible surface: 582.569	Positive charged surface: 411.076	Negative charged surface: 171.493	Volume: 314.125
Hydrophobic surface: 470.109	Hydrophilic surface: 112.46

Pharmacophoric Properties
Hydrogen bond donors: 0	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.