MMsINC Database Search


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MMsINC code: MMs00271570

Type: Neutral
Formula: C₁₈H₁₄N₂O₃S₂

SMILES:

S1\C(=C/c2ccccc2)\C(=O)N(CC(=O)Nc2ccc(O)cc2)C1=S

InChI:

InChI=1/C18H14N2O3S2/c21-14-8-6-13(7-9-14)19-16(22)11-20-17(23)15(25-18(20)24)10-12-4-2-1-3-5-12/h1-10,21H,11H2,(H,19,22)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1066 kcal/mol

Physical Properties
Molecular Weight: 370.453 g/mol	logS: -5.87243	SlogP: 3.2321	Reactive groups: 0

Topological Properties
Globularity: 0.0631693	Sterimol/B1: 3.36672	Sterimol/B2: 4.36937	Sterimol/B3: 4.41057
Sterimol/B4: 5.5497	Sterimol/L: 18.8053

Surface and Volume Properties
Accessible surface: 610.317	Positive charged surface: 299.809	Negative charged surface: 310.508	Volume: 325.5
Hydrophobic surface: 388.202	Hydrophilic surface: 222.115

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.