MMsINC Database Search


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MMsINC code: MMs02157625

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂OS₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1CSC(=S)N(C)C

InChI:

InChI=1/C14H14Cl2N2OS2/c1-8-9(7-21-14(20)18(2)3)13(17-19-8)12-10(15)5-4-6-11(12)16/h4-6H,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8612 kcal/mol

Physical Properties
Molecular Weight: 361.317 g/mol	logS: -6.76826	SlogP: 5.30292	Reactive groups: 0

Topological Properties
Globularity: 0.185108	Sterimol/B1: 2.26278	Sterimol/B2: 4.52	Sterimol/B3: 4.92852
Sterimol/B4: 9.43363	Sterimol/L: 12.5485

Surface and Volume Properties
Accessible surface: 559.641	Positive charged surface: 278.616	Negative charged surface: 281.024	Volume: 306.125
Hydrophobic surface: 473.138	Hydrophilic surface: 86.503

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.