MMsINC Database Search


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MMsINC code: MMs00863699

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂S

SMILES:

Clc1ccc(NCc2ccccc2NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C20H19ClN2O2S/c1-15-6-12-19(13-7-15)26(24,25)23-20-5-3-2-4-16(20)14-22-18-10-8-17(21)9-11-18/h2-13,22-23H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6132 kcal/mol

Physical Properties
Molecular Weight: 386.903 g/mol	logS: -5.81929	SlogP: 5.32772	Reactive groups: 0

Topological Properties
Globularity: 0.210806	Sterimol/B1: 2.18433	Sterimol/B2: 2.91392	Sterimol/B3: 6.7159
Sterimol/B4: 9.49521	Sterimol/L: 14.4468

Surface and Volume Properties
Accessible surface: 603.911	Positive charged surface: 292.514	Negative charged surface: 311.397	Volume: 351.75
Hydrophobic surface: 519.944	Hydrophilic surface: 83.967

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.