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MMsINC code: MMs00042965

Type: Neutral
Formula: C₁₂H₁₀N₂S₂

SMILES:

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

InChI:

InChI=1/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-5,13H,6H2,1H3/b13-11-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5192 kcal/mol

Physical Properties
Molecular Weight: 246.358 g/mol	logS: -4.13652	SlogP: 3.79387	Reactive groups: 0

Topological Properties
Globularity: 0.0133853	Sterimol/B1: 2.22159	Sterimol/B2: 2.31089	Sterimol/B3: 2.49579
Sterimol/B4: 6.99939	Sterimol/L: 13.4514

Surface and Volume Properties
Accessible surface: 429.007	Positive charged surface: 239.95	Negative charged surface: 189.057	Volume: 220.875
Hydrophobic surface: 301.016	Hydrophilic surface: 127.991

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

MMs00042966
APOLLO-ZINC00117161