MMsINC Database Search


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MMsINC code: MMs00946378

Type: Neutral
Formula: C₂₀H₁₆N₄O₄

SMILES:

O1c2cc(Nc3n4C=CC=Nc4nc3-c3cc(OC)c(O)cc3)ccc2OC1

InChI:

InChI=1/C20H16N4O4/c1-26-16-9-12(3-5-14(16)25)18-19(24-8-2-7-21-20(24)23-18)22-13-4-6-15-17(10-13)28-11-27-15/h2-10,22,25H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.648 kcal/mol

Physical Properties
Molecular Weight: 376.372 g/mol	logS: -5.03339	SlogP: 3.9232	Reactive groups: 0

Topological Properties
Globularity: 0.0548747	Sterimol/B1: 3.32615	Sterimol/B2: 4.16838	Sterimol/B3: 5.51334
Sterimol/B4: 7.56275	Sterimol/L: 16.815

Surface and Volume Properties
Accessible surface: 619.462	Positive charged surface: 423.523	Negative charged surface: 195.939	Volume: 337.125
Hydrophobic surface: 416.28	Hydrophilic surface: 203.182

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.