MMsINC Database Search


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MMsINC code: MMs02944081

Type: Neutral
Formula: C₁₅H₁₄ClNO₅S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccccc2C(OC)=O)ccc1OC

InChI:

InChI=1/C15H14ClNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7359 kcal/mol

Physical Properties
Molecular Weight: 355.798 g/mol	logS: -4.21312	SlogP: 2.936	Reactive groups: 0

Topological Properties
Globularity: 0.251421	Sterimol/B1: 3.10654	Sterimol/B2: 3.95674	Sterimol/B3: 6.63115
Sterimol/B4: 6.83904	Sterimol/L: 12.865

Surface and Volume Properties
Accessible surface: 554.37	Positive charged surface: 322.467	Negative charged surface: 231.903	Volume: 295.75
Hydrophobic surface: 449.596	Hydrophilic surface: 104.774

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.