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FDA-ZINC01530820

 MMsINC code: MMs01725569
Type: Neutral
Formula: C14H30N2O4+2
SMILES:   O(C(=O)CCC(OCC[N+](C)(C)C)=O)CC[N+](C)(C)C
InChI:   InChI=1/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=94.2802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.404 g/mol  logS: 0.29426  SlogP: 0.2654  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0529411  Sterimol/B1: 2.43138  Sterimol/B2: 2.7892  Sterimol/B3: 4.30296
  Sterimol/B4: 4.77463  Sterimol/L: 18.5152 
 
 Surface and Volume Properties
  Accessible surface: 583.265  Positive charged surface: 532.117  Negative charged surface: 51.1479  Volume: 304.75
  Hydrophobic surface: 410.242  Hydrophilic surface: 173.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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: no related molecules available.