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IBS-ZINC01762446

 MMsINC code: MMs01773221
Type: Neutral
Formula: C15H24NO4P
SMILES:   P(O)(=O)(CCc1ccccc1)CCC(N)(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)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=68.1407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.334 g/mol  logS: -1.46073  SlogP: 1.25747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741664  Sterimol/B1: 2.65164  Sterimol/B2: 3.59319  Sterimol/B3: 5.04189
  Sterimol/B4: 5.40963  Sterimol/L: 17.6557 
 
 Surface and Volume Properties
  Accessible surface: 562.434  Positive charged surface: 348.698  Negative charged surface: 213.736  Volume: 302.25
  Hydrophobic surface: 355.207  Hydrophilic surface: 207.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs01773222
IBS-ZINC01762446