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IBS-ZINC02095397

 MMsINC code: MMs01783428
Type: Neutral
Formula: C17H27N5O4
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCN1CCN(CC1)C(=O)C(C)C
InChI:   InChI=1/C17H27N5O4/c1-12(2)14(23)22-9-7-21(8-10-22)6-5-18-11-13-15(24)19(3)17(26)20(4)16(13)25/h11-12,18H,5-10H2,1-4H3

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Potential Energy
Epot(MMFF94)=50.7916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.434 g/mol  logS: -0.88912  SlogP: -0.6895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435042  Sterimol/B1: 3.56787  Sterimol/B2: 3.83634  Sterimol/B3: 4.30941
  Sterimol/B4: 5.21957  Sterimol/L: 19.527 
 
 Surface and Volume Properties
  Accessible surface: 647.146  Positive charged surface: 505.533  Negative charged surface: 141.612  Volume: 348.5
  Hydrophobic surface: 473.849  Hydrophilic surface: 173.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01783429
IBS-ZINC02095397