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MMsINC code: MMs02287578

Type: Neutral
Formula: C₁₃H₁₇NO₄

SMILES:

O=C1CCC(CC1C(=O)CC1CC(=O)NC1=O)C

InChI:

InChI=1/C13H17NO4/c1-7-2-3-10(15)9(4-7)11(16)5-8-6-12(17)14-13(8)18/h7-9H,2-6H2,1H3,(H,14,17,18)/t7-,8+,9-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.45865 kcal/mol

Physical Properties
Molecular Weight: 251.282 g/mol	logS: -1.7035	SlogP: 0.6136	Reactive groups: 1

Topological Properties
Globularity: 0.0548751	Sterimol/B1: 2.38826	Sterimol/B2: 2.87008	Sterimol/B3: 3.20006
Sterimol/B4: 5.99181	Sterimol/L: 14.5834

Surface and Volume Properties
Accessible surface: 460.106	Positive charged surface: 304.291	Negative charged surface: 155.815	Volume: 233.125
Hydrophobic surface: 270.049	Hydrophilic surface: 190.057

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02287579
NCID-ZINC01646962