MMsINC Database Search


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MMsINC code: MMs02748912

Type: Neutral
Formula: C₁₆H₁₅Cl₃N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C

InChI:

InChI=1/C16H15Cl3N2O3S/c1-21(25(23,24)15-8-13(18)6-7-14(15)19)10-16(22)20-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8028 kcal/mol

Physical Properties
Molecular Weight: 421.732 g/mol	logS: -5.44178	SlogP: 3.8501	Reactive groups: 0

Topological Properties
Globularity: 0.0585535	Sterimol/B1: 2.03418	Sterimol/B2: 3.23909	Sterimol/B3: 4.11944
Sterimol/B4: 8.83125	Sterimol/L: 18.0627

Surface and Volume Properties
Accessible surface: 621.972	Positive charged surface: 272.058	Negative charged surface: 349.914	Volume: 340.625
Hydrophobic surface: 525.102	Hydrophilic surface: 96.87

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.