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ENAMINE-ZINC03121485

 MMsINC code: MMs01290635
Type: Neutral
Formula: C10H19N2OP
SMILES:   P(=O)(N)(N)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H19N2OP/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H4,11,12,13)/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=-12.5345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.249 g/mol  logS: -2.10058  SlogP: 0.9955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.370399  Sterimol/B1: 2.61399  Sterimol/B2: 3.30685  Sterimol/B3: 4.59408
  Sterimol/B4: 4.94239  Sterimol/L: 10.058 
 
 Surface and Volume Properties
  Accessible surface: 378.135  Positive charged surface: 284.493  Negative charged surface: 93.6425  Volume: 201.5
  Hydrophobic surface: 242.118  Hydrophilic surface: 136.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.