MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01523990

Type: Neutral
Formula: C₁₅H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CN1C(=O)C(NC1=O)(CC(C)C)C

InChI:

InChI=1/C15H18Cl2N2O2/c1-9(2)7-15(3)13(20)19(14(21)18-15)8-10-11(16)5-4-6-12(10)17/h4-6,9H,7-8H2,1-3H3,(H,18,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4824 kcal/mol

Physical Properties
Molecular Weight: 329.227 g/mol	logS: -5.1576	SlogP: 4.1164	Reactive groups: 0

Topological Properties
Globularity: 0.288062	Sterimol/B1: 2.03728	Sterimol/B2: 4.51348	Sterimol/B3: 4.86219
Sterimol/B4: 7.43161	Sterimol/L: 12.0911

Surface and Volume Properties
Accessible surface: 488.582	Positive charged surface: 270.222	Negative charged surface: 218.361	Volume: 290.375
Hydrophobic surface: 371.835	Hydrophilic surface: 116.747

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.