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MMsINC code: MMs02469263

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O=C1C(CC(CC1C)C)C(=O)CC1CC(=O)NC1=O

InChI:

InChI=1/C14H19NO4/c1-7-3-8(2)13(18)10(4-7)11(16)5-9-6-12(17)15-14(9)19/h7-10H,3-6H2,1-2H3,(H,15,17,19)/t7-,8+,9+,10-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.9734 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -1.90527	SlogP: 0.8596	Reactive groups: 1

Topological Properties
Globularity: 0.100611	Sterimol/B1: 2.28317	Sterimol/B2: 2.47952	Sterimol/B3: 4.38334
Sterimol/B4: 7.38258	Sterimol/L: 13.6784

Surface and Volume Properties
Accessible surface: 475.985	Positive charged surface: 313.108	Negative charged surface: 162.878	Volume: 250.25
Hydrophobic surface: 276.565	Hydrophilic surface: 199.42

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs02469266
NCID-ZINC05503581