MMsINC Database Search


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MMsINC code: MMs02202873

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₄

SMILES:

Clc1cc(Cl)ccc1OC(=O)NCCOC(=O)N

InChI:

InChI=1/C10H10Cl2N2O4/c11-6-1-2-8(7(12)5-6)18-10(16)14-3-4-17-9(13)15/h1-2,5H,3-4H2,(H2,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.11763 kcal/mol

Physical Properties
Molecular Weight: 293.106 g/mol	logS: -3.39622	SlogP: 2.1771	Reactive groups: 0

Topological Properties
Globularity: 0.0415961	Sterimol/B1: 2.43197	Sterimol/B2: 2.91513	Sterimol/B3: 3.82236
Sterimol/B4: 5.22217	Sterimol/L: 16.5036

Surface and Volume Properties
Accessible surface: 505.343	Positive charged surface: 254.104	Negative charged surface: 251.239	Volume: 234.75
Hydrophobic surface: 330.659	Hydrophilic surface: 174.684

Pharmacophoric Properties
Hydrogen bond donors: 2	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.