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MMsINC code: MMs02922194

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₂S₂

SMILES:

Clc1cccc(Cl)c1CN1CCN(S(=O)(=O)c2sccc2)CC1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8495 kcal/mol

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

Topological Properties
Globularity: 0.135929	Sterimol/B1: 3.50787	Sterimol/B2: 4.01842	Sterimol/B3: 4.41356
Sterimol/B4: 5.66802	Sterimol/L: 14.7073

Surface and Volume Properties
Accessible surface: 558.685	Positive charged surface: 254.553	Negative charged surface: 304.132	Volume: 318.125
Hydrophobic surface: 493.187	Hydrophilic surface: 65.498

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

MMs02922195
PUBCHEM-ZINC02774903