MMsINC Database Search


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MMsINC code: MMs02560922

Type: Neutral
Formula: C₁₅H₁₀N₂O₂S

SMILES:

S1\C(=C\c2ccncc2)\C(=O)N(c2ccccc2)C1=O

InChI:

InChI=1/C15H10N2O2S/c18-14-13(10-11-6-8-16-9-7-11)20-15(19)17(14)12-4-2-1-3-5-12/h1-10H/b13-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.127 kcal/mol

Physical Properties
Molecular Weight: 282.323 g/mol	logS: -3.55039	SlogP: 3.3225	Reactive groups: 0

Topological Properties
Globularity: 0.0346601	Sterimol/B1: 2.93164	Sterimol/B2: 3.24441	Sterimol/B3: 3.50372
Sterimol/B4: 4.37605	Sterimol/L: 16.1141

Surface and Volume Properties
Accessible surface: 485.222	Positive charged surface: 263.724	Negative charged surface: 221.498	Volume: 250.75
Hydrophobic surface: 364.583	Hydrophilic surface: 120.639

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.