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BACHEM-ZINC02557990

 MMsINC code: MMs00483769
Type: Neutral
Formula: C10H22N2O2
SMILES:   O(C(C)(C)C)C(=O)NCCCCCN
InChI:   InChI=1/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.45435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -1.11823  SlogP: 1.6401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436479  Sterimol/B1: 2.29474  Sterimol/B2: 2.53265  Sterimol/B3: 3.98423
  Sterimol/B4: 4.92463  Sterimol/L: 16.7023 
 
 Surface and Volume Properties
  Accessible surface: 477.911  Positive charged surface: 375.708  Negative charged surface: 102.203  Volume: 220.75
  Hydrophobic surface: 307.715  Hydrophilic surface: 170.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00483770
BACHEM-ZINC02557990