MMsINC Database Search


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MMsINC code: MMs01497327

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccccc1Cl

InChI:

InChI=1/C16H16Cl2N2O3S/c1-20(2)24(22,23)12-7-8-15(18)13(9-12)16(21)19-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.854 kcal/mol

Physical Properties
Molecular Weight: 387.287 g/mol	logS: -4.68105	SlogP: 3.4401	Reactive groups: 0

Topological Properties
Globularity: 0.0948652	Sterimol/B1: 2.20064	Sterimol/B2: 3.06358	Sterimol/B3: 5.1441
Sterimol/B4: 9.41242	Sterimol/L: 14.1675

Surface and Volume Properties
Accessible surface: 597.285	Positive charged surface: 305.716	Negative charged surface: 291.57	Volume: 328
Hydrophobic surface: 508.984	Hydrophilic surface: 88.301

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.