MMsINC Database Search


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MMsINC code: MMs00715891

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccccc1NC(=O)c1c2c(nc(-c3ccc(cc3)C)c1C)cccc2

InChI:

InChI=1/C26H24N2O2/c1-4-30-23-12-8-7-11-22(23)28-26(29)24-18(3)25(19-15-13-17(2)14-16-19)27-21-10-6-5-9-20(21)24/h5-16H,4H2,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.954 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.35057	SlogP: 6.16964	Reactive groups: 0

Topological Properties
Globularity: 0.115331	Sterimol/B1: 2.24933	Sterimol/B2: 2.27889	Sterimol/B3: 7.08229
Sterimol/B4: 10.7694	Sterimol/L: 17.4825

Surface and Volume Properties
Accessible surface: 702.375	Positive charged surface: 414.038	Negative charged surface: 281.524	Volume: 399.625
Hydrophobic surface: 632.874	Hydrophilic surface: 69.501

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.