MMsINC Database Search


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MMsINC code: MMs01286242

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O(CCCCn1c2c(nc1Cc1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H24N2O/c1-3-11-20(12-4-1)19-24-25-22-15-7-8-16-23(22)26(24)17-9-10-18-27-21-13-5-2-6-14-21/h1-8,11-16H,9-10,17-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2053 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.5816	SlogP: 5.75267	Reactive groups: 0

Topological Properties
Globularity: 0.0665949	Sterimol/B1: 2.097	Sterimol/B2: 2.72082	Sterimol/B3: 4.63123
Sterimol/B4: 10.5831	Sterimol/L: 18.7889

Surface and Volume Properties
Accessible surface: 671.867	Positive charged surface: 404.794	Negative charged surface: 267.073	Volume: 372.875
Hydrophobic surface: 644.965	Hydrophilic surface: 26.902

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.