MMsINC Database Search


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MMsINC code: MMs02842109

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O1CCN(NCCOC(c2ccccc2)c2ccccc2)CC1

InChI:

InChI=1/C19H24N2O2/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)23-14-11-20-21-12-15-22-16-13-21/h1-10,19-20H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8575 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -2.9187	SlogP: 2.7249	Reactive groups: 0

Topological Properties
Globularity: 0.129455	Sterimol/B1: 2.48487	Sterimol/B2: 3.8294	Sterimol/B3: 4.06489
Sterimol/B4: 8.95767	Sterimol/L: 15.4483

Surface and Volume Properties
Accessible surface: 610.53	Positive charged surface: 438.092	Negative charged surface: 172.438	Volume: 325.875
Hydrophobic surface: 588.066	Hydrophilic surface: 22.464

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.