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NCID-ZINC01572039

 MMsINC code: MMs02231915
Type: Neutral
Formula: C11H23N3O3
SMILES:   OC(=O)C(NC(=O)C(N)CCCCN)C(C)C
InChI:   InChI=1/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.323 g/mol  logS: -0.47773  SlogP: -0.3319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111069  Sterimol/B1: 2.10413  Sterimol/B2: 2.83489  Sterimol/B3: 5.67151
  Sterimol/B4: 6.15032  Sterimol/L: 15.0803 
 
 Surface and Volume Properties
  Accessible surface: 493.907  Positive charged surface: 378.574  Negative charged surface: 115.333  Volume: 247.875
  Hydrophobic surface: 228.952  Hydrophilic surface: 264.955
 
 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


MMs02231916
NCID-ZINC01572039