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MMsINC code: MMs00042951

Type: Neutral
Formula: C₁₁H₈N₂S₂

SMILES:

S1CC=C(C1=N)c1sc2c(n1)cccc2

InChI:

InChI=1/C11H8N2S2/c12-10-7(5-6-14-10)11-13-8-3-1-2-4-9(8)15-11/h1-5,12H,6H2/b12-10+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.325 kcal/mol

Physical Properties
Molecular Weight: 232.331 g/mol	logS: -4.11957	SlogP: 3.40377	Reactive groups: 0

Topological Properties
Globularity: 0.00669269	Sterimol/B1: 2.37653	Sterimol/B2: 2.38163	Sterimol/B3: 3.71879
Sterimol/B4: 4.76671	Sterimol/L: 13.2066

Surface and Volume Properties
Accessible surface: 418.046	Positive charged surface: 203.63	Negative charged surface: 214.416	Volume: 206.25
Hydrophobic surface: 265.345	Hydrophilic surface: 152.701

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Ions/Tautomers related molecules

MMs00042952
APOLLO-ZINC00114945