MMsINC Database Search


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MMsINC code: MMs01482797

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NC(=O)NC

InChI:

InChI=1/C10H10Cl2N2O3/c1-13-10(16)14-9(15)5-17-8-3-2-6(11)4-7(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)=32.3043 kcal/mol

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

Topological Properties
Globularity: 0.00723676	Sterimol/B1: 2.37545	Sterimol/B2: 2.37595	Sterimol/B3: 3.95005
Sterimol/B4: 5.02996	Sterimol/L: 17.0098

Surface and Volume Properties
Accessible surface: 483.186	Positive charged surface: 253.007	Negative charged surface: 230.179	Volume: 227.5
Hydrophobic surface: 366.142	Hydrophilic surface: 117.044

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.