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IBS-ZINC02134383

 MMsINC code: MMs01793630
Type: Ionized
Formula: C10H21NO4P-
SMILES:   P(=O)([O-])(CC(CC(C)C)C(=O)[O-])CCC[NH3+]
InChI:   InChI=1/C10H22NO4P/c1-8(2)6-9(10(12)13)7-16(14,15)5-3-4-11/h8-9H,3-7,11H2,1-2H3,(H,12,13)(H,14,15)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=2.46435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.255 g/mol  logS: -0.83754  SlogP: -2.4012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705737  Sterimol/B1: 2.36279  Sterimol/B2: 2.80799  Sterimol/B3: 4.78199
  Sterimol/B4: 5.21536  Sterimol/L: 15.1768 
 
 Surface and Volume Properties
  Accessible surface: 482.781  Positive charged surface: 317.848  Negative charged surface: 164.933  Volume: 239.875
  Hydrophobic surface: 233.204  Hydrophilic surface: 249.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs01793629
IBS-ZINC02134383