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NCID-ZINC04430105

 MMsINC code: MMs02388032
Type: Neutral
Formula: C11H18N4O2
SMILES:   O=C(N)\C(=C/NC(=O)NCCCCCC)\C#N
InChI:   InChI=1/C11H18N4O2/c1-2-3-4-5-6-14-11(17)15-8-9(7-12)10(13)16/h8H,2-6H2,1H3,(H2,13,16)(H2,14,15,17)/b9-8-

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Potential Energy
Epot(MMFF94)=-8.17604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.291 g/mol  logS: -2.61706  SlogP: 0.758684  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0130139  Sterimol/B1: 2.46255  Sterimol/B2: 2.55268  Sterimol/B3: 3.2969
  Sterimol/B4: 4.60823  Sterimol/L: 18.6523 
 
 Surface and Volume Properties
  Accessible surface: 518.588  Positive charged surface: 354.581  Negative charged surface: 164.006  Volume: 238.75
  Hydrophobic surface: 264.21  Hydrophilic surface: 254.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.