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PUBCHEM-ZINC06481644

 MMsINC code: MMs03758019
Type: Ionized
Formula: C13H24NO3-
SMILES:   O=C(NC)CCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C13H25NO3/c1-14-12(15)10-8-6-4-2-3-5-7-9-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=-2.83851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.339 g/mol  logS: -3.2781  SlogP: 1.3833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155818  Sterimol/B1: 2.38847  Sterimol/B2: 2.44003  Sterimol/B3: 3.15083
  Sterimol/B4: 3.53309  Sterimol/L: 21.4712 
 
 Surface and Volume Properties
  Accessible surface: 561.452  Positive charged surface: 430.668  Negative charged surface: 130.784  Volume: 262.5
  Hydrophobic surface: 405.873  Hydrophilic surface: 155.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03758018
PUBCHEM-ZINC06481644