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PUBCHEM-ZINC03032848

 MMsINC code: MMs02983361
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C1NC(CCCCCC(=O)[O-])C(N1)CCCC
InChI:   InChI=1/C13H24N2O3/c1-2-3-7-10-11(15-13(18)14-10)8-5-4-6-9-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)/p-1/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.2534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.57133  SlogP: 0.927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430892  Sterimol/B1: 2.18771  Sterimol/B2: 2.80585  Sterimol/B3: 3.32994
  Sterimol/B4: 7.23955  Sterimol/L: 18.3812 
 
 Surface and Volume Properties
  Accessible surface: 541.077  Positive charged surface: 380.673  Negative charged surface: 160.404  Volume: 263
  Hydrophobic surface: 324.208  Hydrophilic surface: 216.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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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MMs02983360
PUBCHEM-ZINC03032848