MMsINC Database Search


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MMsINC code: MMs01595156

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccccc1)C

InChI:

InChI=1/C16H16Cl2N2O3S/c1-20(11-16(21)19-10-12-5-3-2-4-6-12)24(22,23)15-9-13(17)7-8-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9695 kcal/mol

Physical Properties
Molecular Weight: 387.287 g/mol	logS: -4.70749	SlogP: 3.1967	Reactive groups: 0

Topological Properties
Globularity: 0.0583486	Sterimol/B1: 2.02739	Sterimol/B2: 3.29609	Sterimol/B3: 4.11163
Sterimol/B4: 8.81721	Sterimol/L: 16.9826

Surface and Volume Properties
Accessible surface: 597.205	Positive charged surface: 294.203	Negative charged surface: 303.003	Volume: 325.75
Hydrophobic surface: 500.336	Hydrophilic surface: 96.869

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.