MMsINC Database Search


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MMsINC code: MMs01689283

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S₂

SMILES:

Clc1cc(ccc1)C(=O)N1CCN(S(=O)(=O)c2sc(Cl)cc2)CC1

InChI:

InChI=1/C15H14Cl2N2O3S2/c16-12-3-1-2-11(10-12)15(20)18-6-8-19(9-7-18)24(21,22)14-5-4-13(17)23-14/h1-5,10H,6-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8758 kcal/mol

Physical Properties
Molecular Weight: 405.326 g/mol	logS: -5.02661	SlogP: 3.2016	Reactive groups: 0

Topological Properties
Globularity: 0.12779	Sterimol/B1: 3.09943	Sterimol/B2: 3.61639	Sterimol/B3: 5.58634
Sterimol/B4: 5.67717	Sterimol/L: 16.4667

Surface and Volume Properties
Accessible surface: 589.026	Positive charged surface: 245.351	Negative charged surface: 343.674	Volume: 322.25
Hydrophobic surface: 501.808	Hydrophilic surface: 87.218

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: no related molecules available.