MMsINC Database Search


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MMsINC code: MMs01520066

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₃

SMILES:

Clc1ccc(Cl)cc1OCC(=O)NC(=O)NC

InChI:

InChI=1/C10H10Cl2N2O3/c1-13-10(16)14-9(15)5-17-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H2,13,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7212 kcal/mol

Physical Properties
Molecular Weight: 277.107 g/mol	logS: -3.30494	SlogP: 1.8278	Reactive groups: 0

Topological Properties
Globularity: 0.00735257	Sterimol/B1: 2.37545	Sterimol/B2: 2.37568	Sterimol/B3: 5.06326
Sterimol/B4: 5.10835	Sterimol/L: 15.8248

Surface and Volume Properties
Accessible surface: 475.24	Positive charged surface: 247.793	Negative charged surface: 227.446	Volume: 225.75
Hydrophobic surface: 363.028	Hydrophilic surface: 112.212

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.