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BACHEM-ZINC02047016

 MMsINC code: MMs00482702
Type: Neutral
Formula: C11H23N3O3
SMILES:   OC(=O)C(NC(=O)C(N)C(C)C)CCCCN
InChI:   InChI=1/C11H23N3O3/c1-7(2)9(13)10(15)14-8(11(16)17)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)=40.0977 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: 0.0799043  Sterimol/B1: 2.22095  Sterimol/B2: 2.29357  Sterimol/B3: 4.63924
  Sterimol/B4: 7.79397  Sterimol/L: 14.3544 
 
 Surface and Volume Properties
  Accessible surface: 501.304  Positive charged surface: 378.598  Negative charged surface: 122.706  Volume: 248.125
  Hydrophobic surface: 242.796  Hydrophilic surface: 258.508
 
 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


MMs00482703
BACHEM-ZINC02047016