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MMsINC code: MMs00739651

Type: Neutral
Formula: C₁₅H₂₅NO

SMILES:

O(CCCNCCCC)c1ccccc1CC

InChI:

InChI=1/C15H25NO/c1-3-5-11-16-12-8-13-17-15-10-7-6-9-14(15)4-2/h6-7,9-10,16H,3-5,8,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4968 kcal/mol

Physical Properties
Molecular Weight: 235.371 g/mol	logS: -3.12386	SlogP: 3.40757	Reactive groups: 0

Topological Properties
Globularity: 0.021958	Sterimol/B1: 2.70921	Sterimol/B2: 2.81314	Sterimol/B3: 4.58019
Sterimol/B4: 5.48496	Sterimol/L: 18.275

Surface and Volume Properties
Accessible surface: 551.67	Positive charged surface: 410.744	Negative charged surface: 140.926	Volume: 270.5
Hydrophobic surface: 487.995	Hydrophilic surface: 63.675

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

MMs00739652
CHEMBRIDGE-ZINC02903164