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MAYBRIDGE-ZINC02144211

 MMsINC code: MMs02158383
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)CCNC(=O)NCCCCCC
InChI:   InChI=1/C10H20N2O3/c1-2-3-4-5-7-11-10(15)12-8-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)

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Potential Energy
Epot(MMFF94)=-33.5841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.55673  SlogP: 1.3406  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0162377  Sterimol/B1: 2.2743  Sterimol/B2: 2.37496  Sterimol/B3: 2.37584
  Sterimol/B4: 3.91338  Sterimol/L: 19.1935 
 
 Surface and Volume Properties
  Accessible surface: 492.242  Positive charged surface: 370.801  Negative charged surface: 121.441  Volume: 221.875
  Hydrophobic surface: 298.898  Hydrophilic surface: 193.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02158384
MAYBRIDGE-ZINC02144211