MMsINC Database Search


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MMsINC code: MMs02816835

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(CC)c1cc2c(cc1OCC)ccc1c3cc(OC)c(OC)cc3cnc12

InChI:

InChI=1/C23H23NO4/c1-5-27-21-9-14-7-8-16-17-11-20(26-4)19(25-3)10-15(17)13-24-23(16)18(14)12-22(21)28-6-2/h7-13H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.888 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -6.58512	SlogP: 5.3558	Reactive groups: 0

Topological Properties
Globularity: 0.00871011	Sterimol/B1: 2.37627	Sterimol/B2: 2.38749	Sterimol/B3: 2.85459
Sterimol/B4: 9.01212	Sterimol/L: 18.4484

Surface and Volume Properties
Accessible surface: 678.452	Positive charged surface: 497.093	Negative charged surface: 152.906	Volume: 369.875
Hydrophobic surface: 590.541	Hydrophilic surface: 87.911

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.