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MMsINC code: MMs01810785

Type: Neutral
Formula: C₁₈H₁₂N₄O₂S₂

SMILES:

S1\C(=C\c2[nH]c3c(n2)cccc3)\C(=O)N(NC(=O)c2ccccc2)C1=S

InChI:

InChI=1/C18H12N4O2S2/c23-16(11-6-2-1-3-7-11)21-22-17(24)14(26-18(22)25)10-15-19-12-8-4-5-9-13(12)20-15/h1-10H,(H,19,20)(H,21,23)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5636 kcal/mol

Physical Properties
Molecular Weight: 380.452 g/mol	logS: -6.54186	SlogP: 3.1091	Reactive groups: 0

Topological Properties
Globularity: 0.0257761	Sterimol/B1: 3.50867	Sterimol/B2: 3.65848	Sterimol/B3: 3.75278
Sterimol/B4: 5.24886	Sterimol/L: 20.5399

Surface and Volume Properties
Accessible surface: 617.875	Positive charged surface: 281.298	Negative charged surface: 336.578	Volume: 328.25
Hydrophobic surface: 411.316	Hydrophilic surface: 206.559

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.