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MMsINC code: MMs00786138

Type: Neutral
Formula: C₂₁H₂₄N₂O

SMILES:

O(CCCn1c2cc(C)c(cc2nc1)C)c1cc2CCCc2cc1

InChI:

InChI=1/C21H24N2O/c1-15-11-20-21(12-16(15)2)23(14-22-20)9-4-10-24-19-8-7-17-5-3-6-18(17)13-19/h7-8,11-14H,3-6,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9062 kcal/mol

Physical Properties
Molecular Weight: 320.436 g/mol	logS: -6.05394	SlogP: 4.87728	Reactive groups: 0

Topological Properties
Globularity: 0.0445317	Sterimol/B1: 3.18633	Sterimol/B2: 3.2887	Sterimol/B3: 4.35266
Sterimol/B4: 6.84575	Sterimol/L: 19.6946

Surface and Volume Properties
Accessible surface: 629.219	Positive charged surface: 429.62	Negative charged surface: 199.599	Volume: 335.625
Hydrophobic surface: 593.704	Hydrophilic surface: 35.515

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.