MMsINC Database Search


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MMsINC code: MMs01271517

Type: Neutral
Formula: C₁₉H₁₈N₂O₅

SMILES:

O(C)c1cc(OC)cc(OC)c1C(=O)COc1ncnc2c1cccc2

InChI:

InChI=1/C19H18N2O5/c1-23-12-8-16(24-2)18(17(9-12)25-3)15(22)10-26-19-13-6-4-5-7-14(13)20-11-21-19/h4-9,11H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.69 kcal/mol

Physical Properties
Molecular Weight: 354.362 g/mol	logS: -4.74645	SlogP: 2.9173	Reactive groups: 0

Topological Properties
Globularity: 0.00774158	Sterimol/B1: 2.37578	Sterimol/B2: 2.37604	Sterimol/B3: 3.58002
Sterimol/B4: 8.08791	Sterimol/L: 18.2532

Surface and Volume Properties
Accessible surface: 610.409	Positive charged surface: 461.994	Negative charged surface: 142.445	Volume: 327.375
Hydrophobic surface: 495.75	Hydrophilic surface: 114.659

Pharmacophoric Properties
Hydrogen bond donors: 0	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.