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SIAL-ZINC04761049

 MMsINC code: MMs03924788
Type: Neutral
Formula: C10H20N4O3
SMILES:   O=C(NCC(=O)NCC(=O)N)C(N)C(CC)C
InChI:   InChI=1/C10H20N4O3/c1-3-6(2)9(12)10(17)14-5-8(16)13-4-7(11)15/h6,9H,3-5,12H2,1-2H3,(H2,11,15)(H,13,16)(H,14,17)/t6-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=54.7542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.295 g/mol  logS: -1.15157  SlogP: -1.9225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362385  Sterimol/B1: 2.35263  Sterimol/B2: 2.50398  Sterimol/B3: 3.54152
  Sterimol/B4: 5.91631  Sterimol/L: 16.7221 
 
 Surface and Volume Properties
  Accessible surface: 494.525  Positive charged surface: 356.643  Negative charged surface: 137.882  Volume: 235
  Hydrophobic surface: 202.63  Hydrophilic surface: 291.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03924789
SIAL-ZINC04761049