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MMsINC code: MMs03265508

Type: Neutral
Formula: C₁₄H₁₅N₃O₆

SMILES:

OC1c2n(c3c(C(=O)C(=O)C(C)C3=O)c2COC(=O)N)CC1N

InChI:

InChI=1/C14H15N3O6/c1-4-10(18)9-7(13(21)11(4)19)5(3-23-14(16)22)8-12(20)6(15)2-17(8)9/h4,6,12,20H,2-3,15H2,1H3,(H2,16,22)/t4-,6-,12-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5204 kcal/mol

Physical Properties
Molecular Weight: 321.289 g/mol	logS: -1.14181	SlogP: -0.3298	Reactive groups: 0

Topological Properties
Globularity: 0.133437	Sterimol/B1: 2.58424	Sterimol/B2: 4.26547	Sterimol/B3: 4.34842
Sterimol/B4: 6.34351	Sterimol/L: 12.4169

Surface and Volume Properties
Accessible surface: 521.934	Positive charged surface: 332.183	Negative charged surface: 189.751	Volume: 272.375
Hydrophobic surface: 170.786	Hydrophilic surface: 351.148

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs03265510
PUBCHEM-ZINC05423872