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NCID-ZINC05923308

 MMsINC code: MMs02511515
Type: Neutral
Formula: C16H32N4O4
SMILES:   O(C(=O)CN1CCNCCN(CCNCC1)CC(OCC)=O)CC
InChI:   InChI=1/C16H32N4O4/c1-3-23-15(21)13-19-9-5-17-7-11-20(12-8-18-6-10-19)14-16(22)24-4-2/h17-18H,3-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=159.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.456 g/mol  logS: -0.5398  SlogP: -1.0906  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100556  Sterimol/B1: 2.57052  Sterimol/B2: 2.99186  Sterimol/B3: 5.05747
  Sterimol/B4: 8.55485  Sterimol/L: 17.7487 
 
 Surface and Volume Properties
  Accessible surface: 622.231  Positive charged surface: 526.178  Negative charged surface: 96.0538  Volume: 348.5
  Hydrophobic surface: 493.05  Hydrophilic surface: 129.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02511516
NCID-ZINC05923308