MMsINC Database Search


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MMsINC code: MMs02481285

Type: Neutral
Formula: C₁₅H₁₆N₂S

SMILES:

S(=N\C(=N\c1ccccc1)\c1ccccc1)(C)C

InChI:

InChI=1/C15H16N2S/c1-18(2)17-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6406 kcal/mol

Physical Properties
Molecular Weight: 256.373 g/mol	logS: -4.44745	SlogP: 3.9315	Reactive groups: 0

Topological Properties
Globularity: 0.134814	Sterimol/B1: 2.29084	Sterimol/B2: 3.00864	Sterimol/B3: 5.30284
Sterimol/B4: 6.57029	Sterimol/L: 14.2053

Surface and Volume Properties
Accessible surface: 491.556	Positive charged surface: 289.279	Negative charged surface: 202.277	Volume: 260.125
Hydrophobic surface: 482.315	Hydrophilic surface: 9.241

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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Ions/Tautomers related molecules: no related molecules available.