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CHEMBRIDGE-ZINC02684012

 MMsINC code: MMs00713311
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C(NCC(=O)NCCN(C)C)C1CCCCC1
InChI:   InChI=1/C13H25N3O2/c1-16(2)9-8-14-12(17)10-15-13(18)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18)

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Potential Energy
Epot(MMFF94)=36.7209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -1.68809  SlogP: 0.3607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310988  Sterimol/B1: 2.51079  Sterimol/B2: 3.76345  Sterimol/B3: 3.98333
  Sterimol/B4: 4.02302  Sterimol/L: 18.2999 
 
 Surface and Volume Properties
  Accessible surface: 538.408  Positive charged surface: 452.522  Negative charged surface: 85.8858  Volume: 270.375
  Hydrophobic surface: 444.218  Hydrophilic surface: 94.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00713312
CHEMBRIDGE-ZINC02684012