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IBS-ZINC02258848

 MMsINC code: MMs01817109
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C1N(CCCN(C)C)C(=O)CCC1
InChI:   InChI=1/C10H18N2O2/c1-11(2)7-4-8-12-9(13)5-3-6-10(12)14/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=9.99236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.25854  SlogP: 0.4772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0900355  Sterimol/B1: 2.85874  Sterimol/B2: 3.5167  Sterimol/B3: 3.71201
  Sterimol/B4: 4.28996  Sterimol/L: 13.0701 
 
 Surface and Volume Properties
  Accessible surface: 422.828  Positive charged surface: 342.196  Negative charged surface: 80.6321  Volume: 203.125
  Hydrophobic surface: 351.447  Hydrophilic surface: 71.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01817110
IBS-ZINC02258848