MMsINC Database Search


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MMsINC code: MMs01495005

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CNC(=O)c1c(noc1C)C

InChI:

InChI=1/C13H12Cl2N2O2/c1-7-12(8(2)19-17-7)13(18)16-6-9-3-4-10(14)5-11(9)15/h3-5H,6H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3183 kcal/mol

Physical Properties
Molecular Weight: 299.157 g/mol	logS: -4.04062	SlogP: 3.79464	Reactive groups: 0

Topological Properties
Globularity: 0.101714	Sterimol/B1: 2.05025	Sterimol/B2: 3.33733	Sterimol/B3: 4.3794
Sterimol/B4: 7.24682	Sterimol/L: 14.2942

Surface and Volume Properties
Accessible surface: 502.613	Positive charged surface: 209.602	Negative charged surface: 293.01	Volume: 256.875
Hydrophobic surface: 433.604	Hydrophilic surface: 69.009

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.