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PUBCHEM-ZINC07010639

 MMsINC code: MMs03910186
Type: Ionized
Formula: C15H26NO4-
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)/p-1/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=51.2593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.376 g/mol  logS: -2.0649  SlogP: 0.7216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120879  Sterimol/B1: 2.08747  Sterimol/B2: 4.82621  Sterimol/B3: 4.82657
  Sterimol/B4: 5.9453  Sterimol/L: 14.7545 
 
 Surface and Volume Properties
  Accessible surface: 518.644  Positive charged surface: 386.651  Negative charged surface: 131.993  Volume: 289.25
  Hydrophobic surface: 390.53  Hydrophilic surface: 128.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03910185
PUBCHEM-ZINC07010639