MMsINC Database Search


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MMsINC code: MMs00788011

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

o1c2c(nc1-c1cc(NC(=O)Cc3cc(OC)c(OC)cc3)ccc1)cc(cc2)C

InChI:

InChI=1/C24H22N2O4/c1-15-7-9-20-19(11-15)26-24(30-20)17-5-4-6-18(14-17)25-23(27)13-16-8-10-21(28-2)22(12-16)29-3/h4-12,14H,13H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.647 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -7.30669	SlogP: 5.00159	Reactive groups: 0

Topological Properties
Globularity: 0.0886999	Sterimol/B1: 2.64896	Sterimol/B2: 4.06483	Sterimol/B3: 5.23835
Sterimol/B4: 9.93793	Sterimol/L: 18.0277

Surface and Volume Properties
Accessible surface: 723.552	Positive charged surface: 497.664	Negative charged surface: 225.888	Volume: 386.875
Hydrophobic surface: 629.36	Hydrophilic surface: 94.192

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.