MMsINC Database Search


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MMsINC code: MMs00888876

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂S

SMILES:

Clc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1

InChI:

InChI=1/C20H18Cl2N2O2S/c21-16-6-10-18(11-7-16)24-20(15-4-2-1-3-5-15)14-23-27(25,26)19-12-8-17(22)9-13-19/h1-13,20,23-24H,14H2/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4662 kcal/mol

Physical Properties
Molecular Weight: 421.348 g/mol	logS: -6.05014	SlogP: 5.2206	Reactive groups: 0

Topological Properties
Globularity: 0.153287	Sterimol/B1: 2.44116	Sterimol/B2: 3.63187	Sterimol/B3: 5.64001
Sterimol/B4: 9.35268	Sterimol/L: 17.432

Surface and Volume Properties
Accessible surface: 670.046	Positive charged surface: 274.476	Negative charged surface: 395.57	Volume: 369.125
Hydrophobic surface: 587.505	Hydrophilic surface: 82.541

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.