MMsINC Database Search


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MMsINC code: MMs01819203

Type: Neutral
Formula: C₂₄H₁₆N₂OS₂

SMILES:

s1c(ccc1-c1sc(cc1)\C=N\c1ccc(O)cc1)-c1nc2c(cc1)cccc2

InChI:

InChI=1/C24H16N2OS2/c27-18-8-6-17(7-9-18)25-15-19-10-12-23(28-19)24-14-13-22(29-24)21-11-5-16-3-1-2-4-20(16)26-21/h1-15,27H/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1977 kcal/mol

Physical Properties
Molecular Weight: 412.537 g/mol	logS: -7.72459	SlogP: 7.148	Reactive groups: 0

Topological Properties
Globularity: 0.0057386	Sterimol/B1: 2.77256	Sterimol/B2: 2.92993	Sterimol/B3: 3.7856
Sterimol/B4: 5.20115	Sterimol/L: 24.5149

Surface and Volume Properties
Accessible surface: 700.916	Positive charged surface: 344.592	Negative charged surface: 350.788	Volume: 382.25
Hydrophobic surface: 613.495	Hydrophilic surface: 87.421

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.