MMsINC Database Search


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MMsINC code: MMs03345010

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₂S

SMILES:

Clc1cc(ccc1)CCNS(=O)(=O)c1c2ncccc2ccc1

InChI:

InChI=1/C17H15ClN2O2S/c18-15-7-1-4-13(12-15)9-11-20-23(21,22)16-8-2-5-14-6-3-10-19-17(14)16/h1-8,10,12,20H,9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4267 kcal/mol

Physical Properties
Molecular Weight: 346.838 g/mol	logS: -4.37506	SlogP: 3.40917	Reactive groups: 0

Topological Properties
Globularity: 0.115558	Sterimol/B1: 3.77957	Sterimol/B2: 4.71974	Sterimol/B3: 5.27602
Sterimol/B4: 5.33702	Sterimol/L: 14.1596

Surface and Volume Properties
Accessible surface: 548.886	Positive charged surface: 259.159	Negative charged surface: 284.191	Volume: 303.375
Hydrophobic surface: 460.097	Hydrophilic surface: 88.789

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.