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IBS-ZINC01762446

 MMsINC code: MMs01773222
Type: Ionized
Formula: C15H23NO4P-
SMILES:   P(=O)([O-])(CCc1ccccc1)CCC([NH3+])(C(C)C)C(=O)[O-]
InChI:   InChI=1/C15H24NO4P/c1-12(2)15(16,14(17)18)9-11-21(19,20)10-8-13-6-4-3-5-7-13/h3-7,12H,8-11,16H2,1-2H3,(H,17,18)(H,19,20)/p-1/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=-6.2264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.326 g/mol  logS: -1.76831  SlogP: -1.42603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574859  Sterimol/B1: 2.71414  Sterimol/B2: 3.88154  Sterimol/B3: 3.99982
  Sterimol/B4: 5.15324  Sterimol/L: 17.0562 
 
 Surface and Volume Properties
  Accessible surface: 547.965  Positive charged surface: 319.642  Negative charged surface: 228.324  Volume: 298.375
  Hydrophobic surface: 382.581  Hydrophilic surface: 165.384
 
 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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MMs01773221
IBS-ZINC01762446