MMsINC Database Search


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MMsINC code: MMs01286241

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O(CCCn1c2c(nc1Cc1ccccc1)cccc2)c1cc(ccc1)C

InChI:

InChI=1/C24H24N2O/c1-19-9-7-12-21(17-19)27-16-8-15-26-23-14-6-5-13-22(23)25-24(26)18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9906 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.85375	SlogP: 5.67099	Reactive groups: 0

Topological Properties
Globularity: 0.0743825	Sterimol/B1: 2.8232	Sterimol/B2: 5.03657	Sterimol/B3: 6.3296
Sterimol/B4: 6.65058	Sterimol/L: 17.492

Surface and Volume Properties
Accessible surface: 674.385	Positive charged surface: 402.094	Negative charged surface: 272.291	Volume: 373
Hydrophobic surface: 649.149	Hydrophilic surface: 25.236

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.