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CHEMDIV-ZINC00259760

 MMsINC code: MMs00847189
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C1CCCN(C1)C(=O)N(C)C
InChI:   InChI=1/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=48.6035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: 0.30295  SlogP: 0.4646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123399  Sterimol/B1: 2.55852  Sterimol/B2: 3.70725  Sterimol/B3: 4.3135
  Sterimol/B4: 5.26764  Sterimol/L: 10.9083 
 
 Surface and Volume Properties
  Accessible surface: 392.29  Positive charged surface: 313.354  Negative charged surface: 78.9354  Volume: 192.25
  Hydrophobic surface: 273.187  Hydrophilic surface: 119.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00847190
CHEMDIV-ZINC00259760