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CHEMDIV-ZINC00218308

MMsINC code: MMs00842537

Type: Neutral
Formula: C15H19ClN2O2
SMILES:   Clc1ccccc1CNC(=O)C1N(C(C)C)C(=O)CC1
InChI:   InChI=1/C15H19ClN2O2/c1-10(2)18-13(7-8-14(18)19)15(20)17-9-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=50.7802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.782 g/mol  logS: -3.21883  SlogP: 2.622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991592  Sterimol/B1: 2.26808  Sterimol/B2: 2.65121  Sterimol/B3: 5.37393
  Sterimol/B4: 6.13497  Sterimol/L: 15.0488 
 
 Surface and Volume Properties
  Accessible surface: 528.246  Positive charged surface: 314.386  Negative charged surface: 213.861  Volume: 279.625
  Hydrophobic surface: 436.075  Hydrophilic surface: 92.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.