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NCID-ZINC05203237

 MMsINC code: MMs02448758
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(C(=O)N(C)C)C1CCCN(C1)CCC
InChI:   InChI=1/C11H22N2O2/c1-4-7-13-8-5-6-10(9-13)15-11(14)12(2)3/h10H,4-9H2,1-3H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.3131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -0.71319  SlogP: 1.559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687851  Sterimol/B1: 2.46285  Sterimol/B2: 3.15056  Sterimol/B3: 3.72431
  Sterimol/B4: 5.99935  Sterimol/L: 15.2764 
 
 Surface and Volume Properties
  Accessible surface: 474.163  Positive charged surface: 411.374  Negative charged surface: 62.7892  Volume: 228.625
  Hydrophobic surface: 419.453  Hydrophilic surface: 54.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02448759
NCID-ZINC05203237