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IBS-ZINC05477779

 MMsINC code: MMs01951192
Type: Ionized
Formula: C11H13NO4P-
SMILES:   P(=O)([O-])(C[NH3+])C1Cc2c(cccc2)C1C(=O)[O-]
InChI:   InChI=1/C11H14NO4P/c12-6-17(15,16)9-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-4,9-10H,5-6,12H2,(H,13,14)(H,15,16)/p-1/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=35.0964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.202 g/mol  logS: -0.59972  SlogP: -2.78763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953657  Sterimol/B1: 2.7652  Sterimol/B2: 3.12754  Sterimol/B3: 3.89279
  Sterimol/B4: 6.77613  Sterimol/L: 12.9429 
 
 Surface and Volume Properties
  Accessible surface: 425.027  Positive charged surface: 241.426  Negative charged surface: 183.601  Volume: 219.75
  Hydrophobic surface: 229.846  Hydrophilic surface: 195.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  Chiral centers: 2
 
 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:


MMs01951191
IBS-ZINC05477779