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BACHEM-ZINC02391099

 MMsINC code: MMs00483072
Type: Neutral
Formula: C10H18N4O5
SMILES:   OC(=O)C(NC(=O)C(N)CCC(=O)N)CCC(=O)N
InChI:   InChI=1/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.277 g/mol  logS: -0.17481  SlogP: -2.5859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110913  Sterimol/B1: 3.50722  Sterimol/B2: 4.24913  Sterimol/B3: 4.69873
  Sterimol/B4: 5.52352  Sterimol/L: 14.82 
 
 Surface and Volume Properties
  Accessible surface: 512.793  Positive charged surface: 346.817  Negative charged surface: 165.977  Volume: 242.75
  Hydrophobic surface: 124.742  Hydrophilic surface: 388.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.