MMsINC Database Search


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MMsINC code: MMs01450350

Type: Neutral
Formula: C₁₆H₁₃Cl₃N₂O₃

SMILES:

Clc1cc(Cl)c(Cl)cc1OCC(=O)NC(=O)NCc1ccccc1

InChI:

InChI=1/C16H13Cl3N2O3/c17-11-6-13(19)14(7-12(11)18)24-9-15(22)21-16(23)20-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.35 kcal/mol

Physical Properties
Molecular Weight: 387.65 g/mol	logS: -5.80713	SlogP: 4.318	Reactive groups: 0

Topological Properties
Globularity: 0.0282265	Sterimol/B1: 3.61708	Sterimol/B2: 3.61987	Sterimol/B3: 4.20245
Sterimol/B4: 6.11497	Sterimol/L: 20.2302

Surface and Volume Properties
Accessible surface: 627.722	Positive charged surface: 274.096	Negative charged surface: 353.626	Volume: 318.125
Hydrophobic surface: 516.115	Hydrophilic surface: 111.607

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.