MMsINC Database Search


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MMsINC code: MMs02738426

Type: Neutral
Formula: C₁₅H₁₄ClNO₅S

SMILES:

Clc1ccc(S(=O)(=O)NC(=O)COc2ccc(OC)cc2)cc1

InChI:

InChI=1/C15H14ClNO5S/c1-21-12-4-6-13(7-5-12)22-10-15(18)17-23(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7246 kcal/mol

Physical Properties
Molecular Weight: 355.798 g/mol	logS: -4.43945	SlogP: 2.2325	Reactive groups: 0

Topological Properties
Globularity: 0.0684297	Sterimol/B1: 3.15658	Sterimol/B2: 4.54668	Sterimol/B3: 5.20253
Sterimol/B4: 5.28151	Sterimol/L: 17.7264

Surface and Volume Properties
Accessible surface: 582.391	Positive charged surface: 298.31	Negative charged surface: 284.081	Volume: 297.375
Hydrophobic surface: 458.41	Hydrophilic surface: 123.981

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.