MMsINC Database Search


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MMsINC code: MMs01970148

Type: Neutral
Formula: C₁₆H₁₄ClN₃O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2onc(n2)-c2ccccc2)C)cc1

InChI:

InChI=1/C16H14ClN3O3S/c1-20(24(21,22)14-9-7-13(17)8-10-14)11-15-18-16(19-23-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0223 kcal/mol

Physical Properties
Molecular Weight: 363.825 g/mol	logS: -5.59948	SlogP: 3.4771	Reactive groups: 0

Topological Properties
Globularity: 0.0502028	Sterimol/B1: 2.14963	Sterimol/B2: 3.73055	Sterimol/B3: 3.87065
Sterimol/B4: 7.13874	Sterimol/L: 18.505

Surface and Volume Properties
Accessible surface: 578.924	Positive charged surface: 281.672	Negative charged surface: 297.252	Volume: 311.125
Hydrophobic surface: 481.912	Hydrophilic surface: 97.012

Pharmacophoric Properties
Hydrogen bond donors: 0	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.