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PUBCHEM-ZINC07010639

 MMsINC code: MMs03910185
Type: Neutral
Formula: C15H27NO4
SMILES:   O(CCCNC(=O)C1(CCC(C(O)=O)(C)C1(C)C)C)C
InChI:   InChI=1/C15H27NO4/c1-13(2)14(3,7-8-15(13,4)12(18)19)11(17)16-9-6-10-20-5/h6-10H2,1-5H3,(H,16,17)(H,18,19)/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=92.2718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.384 g/mol  logS: -1.80445  SlogP: 2.0563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128106  Sterimol/B1: 2.11086  Sterimol/B2: 4.55563  Sterimol/B3: 5.05406
  Sterimol/B4: 5.89766  Sterimol/L: 14.4598 
 
 Surface and Volume Properties
  Accessible surface: 505.283  Positive charged surface: 379.613  Negative charged surface: 125.67  Volume: 286.5
  Hydrophobic surface: 359.707  Hydrophilic surface: 145.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03910186
PUBCHEM-ZINC07010639