MMsINC Database Search


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MMsINC code: MMs00865993

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1ccc(OC)cc1-c1nc2c(n1Cc1cc(OC)ccc1OC)cccc2

InChI:

InChI=1/C24H24N2O4/c1-27-17-9-11-22(29-3)16(13-17)15-26-21-8-6-5-7-20(21)25-24(26)19-14-18(28-2)10-12-23(19)30-4/h5-14H,15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.931 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -6.35367	SlogP: 5.0524	Reactive groups: 0

Topological Properties
Globularity: 0.271879	Sterimol/B1: 2.25925	Sterimol/B2: 4.72656	Sterimol/B3: 6.12546
Sterimol/B4: 10.3182	Sterimol/L: 14.5328

Surface and Volume Properties
Accessible surface: 656.093	Positive charged surface: 501.408	Negative charged surface: 154.685	Volume: 393.625
Hydrophobic surface: 609.293	Hydrophilic surface: 46.8

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.