MMsINC Database Search


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MMsINC code: MMs00900887

Type: Neutral
Formula: C₁₈H₂₀ClNO₄S

SMILES:

Clc1ccccc1CS(=O)(=O)CCC(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C18H20ClNO4S/c1-24-16-7-4-5-14(11-16)12-20-18(21)9-10-25(22,23)13-15-6-2-3-8-17(15)19/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6657 kcal/mol

Physical Properties
Molecular Weight: 381.88 g/mol	logS: -4.07667	SlogP: 3.5027	Reactive groups: 0

Topological Properties
Globularity: 0.036246	Sterimol/B1: 2.44855	Sterimol/B2: 3.01517	Sterimol/B3: 4.07748
Sterimol/B4: 6.47967	Sterimol/L: 20.8991

Surface and Volume Properties
Accessible surface: 653.479	Positive charged surface: 383.362	Negative charged surface: 270.118	Volume: 342.125
Hydrophobic surface: 544.276	Hydrophilic surface: 109.203

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.