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MMsINC code: MMs02828010

Type: Neutral
Formula: C₁₉H₂₈N₂O

SMILES:

O(CCCN(C)C)CCn1c2CCCCc2c2c1cccc2

InChI:

InChI=1/C19H28N2O/c1-20(2)12-7-14-22-15-13-21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3,5,8,10H,4,6-7,9,11-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9666 kcal/mol

Physical Properties
Molecular Weight: 300.446 g/mol	logS: -2.8999	SlogP: 3.75474	Reactive groups: 0

Topological Properties
Globularity: 0.0393959	Sterimol/B1: 2.60209	Sterimol/B2: 3.89756	Sterimol/B3: 5.52923
Sterimol/B4: 6.379	Sterimol/L: 17.5365

Surface and Volume Properties
Accessible surface: 608.561	Positive charged surface: 492.871	Negative charged surface: 110.151	Volume: 327.25
Hydrophobic surface: 596.84	Hydrophilic surface: 11.721

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

MMs02828011
PUBCHEM-ZINC01855324