MMsINC Database Search


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MMsINC code: MMs00195243

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂S

SMILES:

Clc1cc(N(S(=O)(=O)c2ccc(cc2)C)Cc2cc(N)ccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1536 kcal/mol

Physical Properties
Molecular Weight: 386.903 g/mol	logS: -5.81929	SlogP: 4.89252	Reactive groups: 0

Topological Properties
Globularity: 0.099563	Sterimol/B1: 3.1448	Sterimol/B2: 3.93354	Sterimol/B3: 4.9589
Sterimol/B4: 7.90058	Sterimol/L: 16.0357

Surface and Volume Properties
Accessible surface: 616.07	Positive charged surface: 321.321	Negative charged surface: 294.749	Volume: 355.25
Hydrophobic surface: 509.938	Hydrophilic surface: 106.132

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.