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NCID-ZINC01665981

 MMsINC code: MMs02302096
Type: Ionized
Formula: C10H19N2O2-
SMILES:   O=C([O-])C(NN)CCC1CCCCC1
InChI:   InChI=1/C10H20N2O2/c11-12-9(10(13)14)7-6-8-4-2-1-3-5-8/h8-9,12H,1-7,11H2,(H,13,14)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=46.4865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.274 g/mol  logS: -3.03638  SlogP: -0.0713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100163  Sterimol/B1: 2.67513  Sterimol/B2: 3.5836  Sterimol/B3: 3.99332
  Sterimol/B4: 4.14242  Sterimol/L: 13.0547 
 
 Surface and Volume Properties
  Accessible surface: 420.315  Positive charged surface: 303.225  Negative charged surface: 117.09  Volume: 205.5
  Hydrophobic surface: 258.727  Hydrophilic surface: 161.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs02302095
NCID-ZINC01665981