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NCID-ZINC01643517

 MMsINC code: MMs02284952
Type: Neutral
Formula: C11H20N4O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)N1CCCC1)C
InChI:   InChI=1/C11H20N4O4/c1-7(13-10(18)8(12)6-9(16)17)14-11(19)15-4-2-3-5-15/h7-8H,2-6,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-8.20262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.305 g/mol  logS: -0.00035  SlogP: -0.944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850624  Sterimol/B1: 2.0587  Sterimol/B2: 3.45109  Sterimol/B3: 3.72036
  Sterimol/B4: 7.25945  Sterimol/L: 16.1152 
 
 Surface and Volume Properties
  Accessible surface: 525.895  Positive charged surface: 387.033  Negative charged surface: 138.862  Volume: 254.125
  Hydrophobic surface: 290.314  Hydrophilic surface: 235.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.