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IBS-ZINC04070761

 MMsINC code: MMs01878240
Type: Neutral
Formula: C20H40NO3P
SMILES:   P(OC1CC(CCC1C(C)C)C)(OC1CC(CCC1C(C)C)C)(=O)N
InChI:   InChI=1/C20H40NO3P/c1-13(2)17-9-7-15(5)11-19(17)23-25(21,22)24-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3,(H2,21,22)/t15-,16+,17-,18-,19-,20-,25-/m1/s1

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Potential Energy
Epot(MMFF94)=42.4054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.518 g/mol  logS: -6.13444  SlogP: 4.9378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212435  Sterimol/B1: 2.28497  Sterimol/B2: 3.09229  Sterimol/B3: 5.6501
  Sterimol/B4: 8.84538  Sterimol/L: 13.8654 
 
 Surface and Volume Properties
  Accessible surface: 614.198  Positive charged surface: 458.172  Negative charged surface: 156.026  Volume: 394.25
  Hydrophobic surface: 472.893  Hydrophilic surface: 141.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.