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PUBCHEM-ZINC06904674

 MMsINC code: MMs03895449
Type: Ionized
Formula: C15H30N7O2+
SMILES:   O=C(NC1[N-]C(NC(=O)C2NCC[NH2+]C2)CCC1)C1NCC[NH2+]C1
InChI:   InChI=1/C15H28N7O2/c23-14(10-8-16-4-6-18-10)21-12-2-1-3-13(20-12)22-15(24)11-9-17-5-7-19-11/h10-13,16-19H,1-9H2,(H,21,23)(H,22,24)/q-1/p+2/t10-,11-,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=40.3297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.452 g/mol  logS: 0.44072  SlogP: -4.501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039174  Sterimol/B1: 2.41833  Sterimol/B2: 3.33844  Sterimol/B3: 3.42376
  Sterimol/B4: 8.62971  Sterimol/L: 17.9284 
 
 Surface and Volume Properties
  Accessible surface: 630.271  Positive charged surface: 550.801  Negative charged surface: 79.4696  Volume: 333.375
  Hydrophobic surface: 400.202  Hydrophilic surface: 230.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 1  Basic groups: 2
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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MMs03895448
PUBCHEM-ZINC06904674