MMsINC Database Search


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MMsINC code: MMs02609859

Type: Neutral
Formula: C₂₀H₂₂N₄O₄

SMILES:

O(c1cccnc1CN(C)c1ccc(OC)cc1)c1nc(OC)cc(OC)n1

InChI:

InChI=1/C20H22N4O4/c1-24(14-7-9-15(25-2)10-8-14)13-16-17(6-5-11-21-16)28-20-22-18(26-3)12-19(23-20)27-4/h5-12H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.966 kcal/mol

Physical Properties
Molecular Weight: 382.42 g/mol	logS: -4.03594	SlogP: 3.5925	Reactive groups: 0

Topological Properties
Globularity: 0.119462	Sterimol/B1: 2.88606	Sterimol/B2: 4.21789	Sterimol/B3: 4.3177
Sterimol/B4: 8.30422	Sterimol/L: 17.2817

Surface and Volume Properties
Accessible surface: 641.398	Positive charged surface: 505.056	Negative charged surface: 136.342	Volume: 364
Hydrophobic surface: 575.127	Hydrophilic surface: 66.271

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.