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MMsINC code: MMs00377318

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(CCN1CCN(CC1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O/c1-3-7-18(8-4-1)17-21-13-11-20(12-14-21)15-16-22-19-9-5-2-6-10-19/h1-10H,11-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2457 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.14778	SlogP: 3.1496	Reactive groups: 0

Topological Properties
Globularity: 0.0723066	Sterimol/B1: 3.4836	Sterimol/B2: 3.96234	Sterimol/B3: 4.44109
Sterimol/B4: 4.46368	Sterimol/L: 18.5648

Surface and Volume Properties
Accessible surface: 594.454	Positive charged surface: 416.245	Negative charged surface: 178.21	Volume: 316.125
Hydrophobic surface: 582.692	Hydrophilic surface: 11.762

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

MMs00377319
ASINEX-ZINC04845259