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MMsINC code: MMs03339228

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

O(C)c1cc(ccc1OC)CCNCCCc1ccccc1

InChI:

InChI=1/C19H25NO2/c1-21-18-11-10-17(15-19(18)22-2)12-14-20-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,20H,6,9,12-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8285 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -3.31875	SlogP: 3.46864	Reactive groups: 0

Topological Properties
Globularity: 0.0265255	Sterimol/B1: 2.2228	Sterimol/B2: 2.60854	Sterimol/B3: 4.14623
Sterimol/B4: 7.29735	Sterimol/L: 20.5894

Surface and Volume Properties
Accessible surface: 627.607	Positive charged surface: 467.087	Negative charged surface: 160.52	Volume: 322
Hydrophobic surface: 591.315	Hydrophilic surface: 36.292

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03339229
PUBCHEM-ZINC05661893