MMsINC Database Search


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MMsINC code: MMs00514401

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₂O₃S

SMILES:

Clc1ccccc1CS(=O)(=O)Nc1oc2c(n1)cc(Cl)cc2

InChI:

InChI=1/C14H10Cl2N2O3S/c15-10-5-6-13-12(7-10)17-14(21-13)18-22(19,20)8-9-3-1-2-4-11(9)16/h1-7H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.191 kcal/mol

Physical Properties
Molecular Weight: 357.217 g/mol	logS: -5.69109	SlogP: 4.3429	Reactive groups: 0

Topological Properties
Globularity: 0.0329858	Sterimol/B1: 2.34006	Sterimol/B2: 4.37746	Sterimol/B3: 4.42572
Sterimol/B4: 4.46283	Sterimol/L: 16.9231

Surface and Volume Properties
Accessible surface: 525.618	Positive charged surface: 219.879	Negative charged surface: 305.739	Volume: 282.125
Hydrophobic surface: 407.987	Hydrophilic surface: 117.631

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.