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NCID-ZINC01720883

 MMsINC code: MMs02345785
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(O)(O)(=O)C(N(C)C)C(C)C
InChI:   InChI=1/C6H16NO3P/c1-5(2)6(7(3)4)11(8,9)10/h5-6H,1-4H3,(H2,8,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=18.101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: 0.56961  SlogP: -0.3624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308124  Sterimol/B1: 3.27945  Sterimol/B2: 3.82549  Sterimol/B3: 4.16463
  Sterimol/B4: 4.69093  Sterimol/L: 9.14856 
 
 Surface and Volume Properties
  Accessible surface: 350.113  Positive charged surface: 263.64  Negative charged surface: 86.4734  Volume: 171.25
  Hydrophobic surface: 210.133  Hydrophilic surface: 139.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.