MMsINC Database Search


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MMsINC code: MMs02307107

Type: Neutral
Formula: C₂₀H₂₅NO₂

SMILES:

O1CC(COC1(c1ccccc1)c1ccccc1)(CN(C)C)C

InChI:

InChI=1/C20H25NO2/c1-19(14-21(2)3)15-22-20(23-16-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.573 kcal/mol

Physical Properties
Molecular Weight: 311.425 g/mol	logS: -3.79241	SlogP: 3.8139	Reactive groups: 0

Topological Properties
Globularity: 0.19235	Sterimol/B1: 1.969	Sterimol/B2: 3.57479	Sterimol/B3: 4.6253
Sterimol/B4: 8.87888	Sterimol/L: 14.9435

Surface and Volume Properties
Accessible surface: 553.625	Positive charged surface: 393.907	Negative charged surface: 159.718	Volume: 326.75
Hydrophobic surface: 533.124	Hydrophilic surface: 20.501

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02307108
NCID-ZINC01671126