MMsINC Database Search


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MMsINC code: MMs00242044

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C1Nc2c(C=C1CN(C(=O)c1ccccc1)CCc1ccccc1)cccc2C

InChI:

InChI=1/C26H24N2O2/c1-19-9-8-14-22-17-23(25(29)27-24(19)22)18-28(16-15-20-10-4-2-5-11-20)26(30)21-12-6-3-7-13-21/h2-14,17H,15-16,18H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.749 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.0491	SlogP: 4.71559	Reactive groups: 0

Topological Properties
Globularity: 0.110659	Sterimol/B1: 2.31209	Sterimol/B2: 3.91952	Sterimol/B3: 6.28503
Sterimol/B4: 9.04261	Sterimol/L: 16.6437

Surface and Volume Properties
Accessible surface: 657.514	Positive charged surface: 373.969	Negative charged surface: 283.545	Volume: 395.5
Hydrophobic surface: 585.239	Hydrophilic surface: 72.275

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.