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NCID-ZINC04577434

 MMsINC code: MMs02391504
Type: Neutral
Formula: C14H30N2O2
SMILES:   O(CC)C(=O)NCCCN(CCCC)CCCC
InChI:   InChI=1/C14H30N2O2/c1-4-7-11-16(12-8-5-2)13-9-10-15-14(17)18-6-3/h4-13H2,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.00618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.406 g/mol  logS: -2.3552  SlogP: 3.0248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431005  Sterimol/B1: 2.11655  Sterimol/B2: 2.55626  Sterimol/B3: 4.02174
  Sterimol/B4: 10.9071  Sterimol/L: 17.1923 
 
 Surface and Volume Properties
  Accessible surface: 606.57  Positive charged surface: 484.669  Negative charged surface: 121.902  Volume: 294.125
  Hydrophobic surface: 467.371  Hydrophilic surface: 139.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02391505
NCID-ZINC04577434