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MMsINC code: MMs00488106

Type: Tautomer
Formula: C₁₄H₂₂N₂S₂

SMILES:

s1c(S)c(cc1CN(C)C)\C=N\C1CCCCC1

InChI:

InChI=1/C14H22N2S2/c1-16(2)10-13-8-11(14(17)18-13)9-15-12-6-4-3-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3/b15-9+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0656 kcal/mol

Physical Properties
Molecular Weight: 282.476 g/mol	logS: -3.96426	SlogP: 4.1164	Reactive groups: 0

Topological Properties
Globularity: 0.0496508	Sterimol/B1: 3.43444	Sterimol/B2: 3.51486	Sterimol/B3: 3.83406
Sterimol/B4: 5.08709	Sterimol/L: 16.7728

Surface and Volume Properties
Accessible surface: 542.502	Positive charged surface: 406.613	Negative charged surface: 135.889	Volume: 284.75
Hydrophobic surface: 483.436	Hydrophilic surface: 59.066

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: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs00488105
CHEMBLOCK-ZINC00042375