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NCID-ZINC01577535

 MMsINC code: MMs02235766
Type: Neutral
Formula: C14H31N3O
SMILES:   O=C(N(CCN(CC)CC)CCN(CC)CC)C
InChI:   InChI=1/C14H31N3O/c1-6-15(7-2)10-12-17(14(5)18)13-11-16(8-3)9-4/h6-13H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.422 g/mol  logS: -0.7691  SlogP: 1.5185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160425  Sterimol/B1: 2.35704  Sterimol/B2: 2.98381  Sterimol/B3: 6.09754
  Sterimol/B4: 7.08733  Sterimol/L: 14.6008 
 
 Surface and Volume Properties
  Accessible surface: 566.032  Positive charged surface: 434.003  Negative charged surface: 132.029  Volume: 297.375
  Hydrophobic surface: 444.59  Hydrophilic surface: 121.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02235767
NCID-ZINC01577535