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ENAMINE-ZINC03124060

 MMsINC code: MMs01290820
Type: Neutral
Formula: C9H20N4PS+
SMILES:   S=P(N(C)C)(N(C)C)c1[nH+]ccn1CC
InChI:   InChI=1/C9H19N4PS/c1-6-13-8-7-10-9(13)14(15,11(2)3)12(4)5/h7-8H,6H2,1-5H3/p+1

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Potential Energy
Epot(MMFF94)=40.2814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.327 g/mol  logS: -1.12793  SlogP: 0.6465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317177  Sterimol/B1: 3.30655  Sterimol/B2: 4.4864  Sterimol/B3: 5.08764
  Sterimol/B4: 5.40927  Sterimol/L: 11.5648 
 
 Surface and Volume Properties
  Accessible surface: 446.559  Positive charged surface: 389.341  Negative charged surface: 57.2174  Volume: 250
  Hydrophobic surface: 332.366  Hydrophilic surface: 114.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs01290821
ENAMINE-ZINC03124060