MMsINC Database Search


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MMsINC code: MMs01450392

Type: Neutral
Formula: C₁₀H₉Cl₃N₂O₃

SMILES:

Clc1cc(Cl)c(Cl)cc1OCC(=O)NC(=O)NC

InChI:

InChI=1/C10H9Cl3N2O3/c1-14-10(17)15-9(16)4-18-8-3-6(12)5(11)2-7(8)13/h2-3H,4H2,1H3,(H2,14,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7783 kcal/mol

Physical Properties
Molecular Weight: 311.552 g/mol	logS: -4.03923	SlogP: 2.4812	Reactive groups: 0

Topological Properties
Globularity: 0.00721497	Sterimol/B1: 2.37474	Sterimol/B2: 2.37566	Sterimol/B3: 5.06329
Sterimol/B4: 5.10345	Sterimol/L: 17.0126

Surface and Volume Properties
Accessible surface: 495.384	Positive charged surface: 233.024	Negative charged surface: 262.36	Volume: 239.875
Hydrophobic surface: 383.172	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.