MMsINC Database Search


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MMsINC code: MMs03894219

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(Cc1ccccc1)c1cccnc1NC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H22N2O2/c29-26(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)28-25-23(17-10-18-27-25)30-19-20-11-4-1-5-12-20/h1-18,24H,19H2,(H,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.968 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -5.9302	SlogP: 5.6976	Reactive groups: 0

Topological Properties
Globularity: 0.135243	Sterimol/B1: 3.5221	Sterimol/B2: 3.57592	Sterimol/B3: 5.91119
Sterimol/B4: 9.4627	Sterimol/L: 16.9578

Surface and Volume Properties
Accessible surface: 708.16	Positive charged surface: 421.793	Negative charged surface: 286.366	Volume: 395.75
Hydrophobic surface: 665.937	Hydrophilic surface: 42.223

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.