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BACHEM-ZINC02560829

 MMsINC code: MMs00483941
Type: Neutral
Formula: C10H19N3O3
SMILES:   O=C(N)C(NC(=O)CNC(=O)C)CC(C)C
InChI:   InChI=1/C10H19N3O3/c1-6(2)4-8(10(11)16)13-9(15)5-12-7(3)14/h6,8H,4-5H2,1-3H3,(H2,11,16)(H,12,14)(H,13,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=38.7097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.28 g/mol  logS: -1.78102  SlogP: -0.8613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0920251  Sterimol/B1: 2.53222  Sterimol/B2: 2.57224  Sterimol/B3: 4.09313
  Sterimol/B4: 7.34068  Sterimol/L: 14.2351 
 
 Surface and Volume Properties
  Accessible surface: 479.735  Positive charged surface: 320.951  Negative charged surface: 158.784  Volume: 226
  Hydrophobic surface: 245.67  Hydrophilic surface: 234.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.