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PUBCHEM-ZINC06397480

 MMsINC code: MMs03706587
Type: Ionized
Formula: C14H27N2O3S-
SMILES:   S(CCC(NC(=O)N(CCCC)CCCC)C(=O)[O-])C
InChI:   InChI=1/C14H28N2O3S/c1-4-6-9-16(10-7-5-2)14(19)15-12(13(17)18)8-11-20-3/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=2.38116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.447 g/mol  logS: -3.03668  SlogP: 1.4698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254568  Sterimol/B1: 2.54858  Sterimol/B2: 3.15872  Sterimol/B3: 7.13362
  Sterimol/B4: 10.032  Sterimol/L: 14.4092 
 
 Surface and Volume Properties
  Accessible surface: 609.644  Positive charged surface: 402.775  Negative charged surface: 206.869  Volume: 313.625
  Hydrophobic surface: 421.541  Hydrophilic surface: 188.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03706586
PUBCHEM-ZINC06397480