MMsINC Database Search


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MMsINC code: MMs01399430

Type: Neutral
Formula: C₁₅H₁₀Cl₄N₂O₃

SMILES:

Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1nc(Cl)ccc1Cl

InChI:

InChI=1/C15H10Cl4N2O3/c16-9-2-1-8(11(18)5-9)6-20-13(22)7-24-15(23)14-10(17)3-4-12(19)21-14/h1-5H,6-7H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9481 kcal/mol

Physical Properties
Molecular Weight: 408.068 g/mol	logS: -5.85028	SlogP: 4.4348	Reactive groups: 0

Topological Properties
Globularity: 0.0339687	Sterimol/B1: 2.37042	Sterimol/B2: 4.96355	Sterimol/B3: 5.14515
Sterimol/B4: 5.72858	Sterimol/L: 19.6392

Surface and Volume Properties
Accessible surface: 620.58	Positive charged surface: 228.972	Negative charged surface: 391.607	Volume: 318.5
Hydrophobic surface: 508.188	Hydrophilic surface: 112.392

Pharmacophoric Properties
Hydrogen bond donors: 1	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.