MMsINC Database Search


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MMsINC code: MMs00889836

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₄S₂

SMILES:

Clc1sc(Cl)cc1S(=O)(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1

InChI:

InChI=1/C16H14Cl2N2O4S2/c17-13-8-12(16(18)25-13)26(23,24)19-9-14(21)20(15(22)10-19)7-6-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3792 kcal/mol

Physical Properties
Molecular Weight: 433.336 g/mol	logS: -5.47539	SlogP: 2.65707	Reactive groups: 0

Topological Properties
Globularity: 0.0366655	Sterimol/B1: 3.38848	Sterimol/B2: 3.66126	Sterimol/B3: 3.67779
Sterimol/B4: 4.90301	Sterimol/L: 19.6976

Surface and Volume Properties
Accessible surface: 607.576	Positive charged surface: 238.194	Negative charged surface: 369.383	Volume: 341.125
Hydrophobic surface: 484.96	Hydrophilic surface: 122.616

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.