MMsINC Database Search


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MMsINC code: MMs01764209

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C1Nc2c(C=C1CN(C(=O)c1ccccc1C)c1cc(ccc1)C)cc(cc2)C

InChI:

InChI=1/C26H24N2O2/c1-17-7-6-9-22(14-17)28(26(30)23-10-5-4-8-19(23)3)16-21-15-20-13-18(2)11-12-24(20)27-25(21)29/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.689 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.30488	SlogP: 5.29436	Reactive groups: 0

Topological Properties
Globularity: 0.16785	Sterimol/B1: 1.969	Sterimol/B2: 3.11962	Sterimol/B3: 7.3009
Sterimol/B4: 7.33894	Sterimol/L: 15.7774

Surface and Volume Properties
Accessible surface: 646.364	Positive charged surface: 401.066	Negative charged surface: 245.298	Volume: 397.75
Hydrophobic surface: 568.718	Hydrophilic surface: 77.646

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.