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MMsINC code: MMs03669195

Type: Neutral
Formula: C₁₈H₂₁NO₅

SMILES:

o1nc(c2c1CCCC2=O)CCC(=O)C1C(=O)CC(CC1=O)(C)C

InChI:

InChI=1/C18H21NO5/c1-18(2)8-13(22)17(14(23)9-18)12(21)7-6-10-16-11(20)4-3-5-15(16)24-19-10/h17H,3-9H2,1-2H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5289 kcal/mol

Physical Properties
Molecular Weight: 331.368 g/mol	logS: -2.72191	SlogP: 2.26964	Reactive groups: 1

Topological Properties
Globularity: 0.0547354	Sterimol/B1: 2.51555	Sterimol/B2: 3.81132	Sterimol/B3: 4.66228
Sterimol/B4: 4.74292	Sterimol/L: 17.0746

Surface and Volume Properties
Accessible surface: 563.944	Positive charged surface: 350.312	Negative charged surface: 213.632	Volume: 308.25
Hydrophobic surface: 392.865	Hydrophilic surface: 171.079

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs03669197
PUBCHEM-ZINC06308383