MMsINC Database Search


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MMsINC code: MMs02286365

Type: Neutral
Formula: C₁₉H₁₉N₃O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CNc1nc2c(nc1C(O)=O)cccc2

InChI:

InChI=1/C19H19N3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)10-20-18-16(19(23)24)21-12-6-4-5-7-13(12)22-18/h4-9H,10H2,1-3H3,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.615 kcal/mol

Physical Properties
Molecular Weight: 369.377 g/mol	logS: -2.83316	SlogP: 3.2323	Reactive groups: 0

Topological Properties
Globularity: 0.130041	Sterimol/B1: 2.36057	Sterimol/B2: 3.67582	Sterimol/B3: 6.65296
Sterimol/B4: 9.30128	Sterimol/L: 18.3704

Surface and Volume Properties
Accessible surface: 650.387	Positive charged surface: 484.455	Negative charged surface: 165.932	Volume: 336.5
Hydrophobic surface: 484.083	Hydrophilic surface: 166.304

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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

MMs02286366
NCID-ZINC01645530