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MMsINC code: MMs03860027

Type: Neutral
Formula: C₁₇H₁₉N₃O₆

SMILES:

O(c1ccccc1C(=O)NC(CC)C(O)=O)c1nc(OC)cc(OC)n1

InChI:

InChI=1/C17H19N3O6/c1-4-11(16(22)23)18-15(21)10-7-5-6-8-12(10)26-17-19-13(24-2)9-14(20-17)25-3/h5-9,11H,4H2,1-3H3,(H,18,21)(H,22,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2166 kcal/mol

Physical Properties
Molecular Weight: 361.354 g/mol	logS: -4.06642	SlogP: 1.8791	Reactive groups: 0

Topological Properties
Globularity: 0.271953	Sterimol/B1: 3.38003	Sterimol/B2: 4.18921	Sterimol/B3: 5.02356
Sterimol/B4: 8.73519	Sterimol/L: 13.7694

Surface and Volume Properties
Accessible surface: 585.865	Positive charged surface: 414.962	Negative charged surface: 170.903	Volume: 325.75
Hydrophobic surface: 425.718	Hydrophilic surface: 160.147

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03860028
PUBCHEM-ZINC06791368