MMsINC Database Search


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MMsINC code: MMs01237641

Type: Neutral
Formula: C₁₇H₁₈ClNO₇S

SMILES:

Clc1ccc(S(=O)(=O)Nc2c(OC)c(OC)c(OC)cc2C(OC)=O)cc1

InChI:

InChI=1/C17H18ClNO7S/c1-23-13-9-12(17(20)26-4)14(16(25-3)15(13)24-2)19-27(21,22)11-7-5-10(18)6-8-11/h5-9,19H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.422 kcal/mol

Physical Properties
Molecular Weight: 415.85 g/mol	logS: -4.31388	SlogP: 2.9532	Reactive groups: 0

Topological Properties
Globularity: 0.383326	Sterimol/B1: 2.23835	Sterimol/B2: 4.82923	Sterimol/B3: 5.31033
Sterimol/B4: 8.61152	Sterimol/L: 12.9781

Surface and Volume Properties
Accessible surface: 611.967	Positive charged surface: 418.797	Negative charged surface: 193.169	Volume: 349.125
Hydrophobic surface: 517.177	Hydrophilic surface: 94.79

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.