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MMsINC code: MMs02921502

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₂S₂

SMILES:

Clc1cc(ccc1Cl)CN1CCN(S(=O)(=O)c2sccc2)CC1

InChI:

InChI=1/C15H16Cl2N2O2S2/c16-13-4-3-12(10-14(13)17)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4461 kcal/mol

Physical Properties
Molecular Weight: 391.343 g/mol	logS: -4.54666	SlogP: 3.8278	Reactive groups: 0

Topological Properties
Globularity: 0.132218	Sterimol/B1: 2.56041	Sterimol/B2: 3.35094	Sterimol/B3: 5.05815
Sterimol/B4: 6.64057	Sterimol/L: 15.8326

Surface and Volume Properties
Accessible surface: 577.6	Positive charged surface: 265.56	Negative charged surface: 312.04	Volume: 322.625
Hydrophobic surface: 511.112	Hydrophilic surface: 66.488

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02921503
PUBCHEM-ZINC02771143