MMsINC Database Search


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MMsINC code: MMs03210758

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

O(CCOc1ncccc1)c1ccc(cc1)CC(CC)CC

InChI:

InChI=1/C19H25NO2/c1-3-16(4-2)15-17-8-10-18(11-9-17)21-13-14-22-19-7-5-6-12-20-19/h5-12,16H,3-4,13-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7608 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -5.38312	SlogP: 4.51807	Reactive groups: 0

Topological Properties
Globularity: 0.032274	Sterimol/B1: 2.47967	Sterimol/B2: 2.54505	Sterimol/B3: 4.45675
Sterimol/B4: 6.26728	Sterimol/L: 19.8654

Surface and Volume Properties
Accessible surface: 612.66	Positive charged surface: 431.041	Negative charged surface: 181.619	Volume: 321.75
Hydrophobic surface: 544.581	Hydrophilic surface: 68.079

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.