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MMsINC code: MMs03751968

Type: Neutral
Formula: C₁₉H₂₂N₂O₆

SMILES:

o1nc(c2c1CCCC2=O)CC\C(=N/C(C(O)=O)C)\C1C(=O)CCCC1=O

InChI:

InChI=1/C19H22N2O6/c1-10(19(25)26)20-11(17-13(22)4-2-5-14(17)23)8-9-12-18-15(24)6-3-7-16(18)27-21-12/h10,17H,2-9H2,1H3,(H,25,26)/b20-11+/t10-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8867 kcal/mol

Physical Properties
Molecular Weight: 374.393 g/mol	logS: -2.10929	SlogP: 1.97854	Reactive groups: 0

Topological Properties
Globularity: 0.0921793	Sterimol/B1: 2.30595	Sterimol/B2: 3.49862	Sterimol/B3: 5.11105
Sterimol/B4: 8.59617	Sterimol/L: 14.8522

Surface and Volume Properties
Accessible surface: 605.157	Positive charged surface: 381.855	Negative charged surface: 223.302	Volume: 338.375
Hydrophobic surface: 402.078	Hydrophilic surface: 203.079

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 7	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

MMs03751970
PUBCHEM-ZINC06471084