MMsINC Database Search


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MMsINC code: MMs00669599

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C(N1CCc2c(C1)cccc2)c1ccccc1C(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C26H24N2O2/c29-25(27-15-13-19-7-1-3-9-21(19)17-27)23-11-5-6-12-24(23)26(30)28-16-14-20-8-2-4-10-22(20)18-28/h1-12H,13-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.864 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.3687	SlogP: 4.61634	Reactive groups: 0

Topological Properties
Globularity: 0.0921759	Sterimol/B1: 3.15055	Sterimol/B2: 3.41189	Sterimol/B3: 5.37622
Sterimol/B4: 7.1176	Sterimol/L: 17.8939

Surface and Volume Properties
Accessible surface: 655.171	Positive charged surface: 411.056	Negative charged surface: 244.115	Volume: 391.375
Hydrophobic surface: 615.78	Hydrophilic surface: 39.391

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: 0

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Ions/Tautomers related molecules: no related molecules available.