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MMsINC code: MMs02810625

Type: Neutral
Formula: C₁₆H₁₂N₂O₃S

SMILES:

S1C(N(C(=O)c2ccccc2)c2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C16H12N2O3S/c19-13-15(22-16(21)17-13)18(12-9-5-2-6-10-12)14(20)11-7-3-1-4-8-11/h1-10,15H,(H,17,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3389 kcal/mol

Physical Properties
Molecular Weight: 312.349 g/mol	logS: -4.88617	SlogP: 2.6425	Reactive groups: 0

Topological Properties
Globularity: 0.151467	Sterimol/B1: 3.55536	Sterimol/B2: 4.19741	Sterimol/B3: 4.54626
Sterimol/B4: 5.86994	Sterimol/L: 13.9938

Surface and Volume Properties
Accessible surface: 494.269	Positive charged surface: 234.203	Negative charged surface: 260.067	Volume: 274.375
Hydrophobic surface: 327.917	Hydrophilic surface: 166.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.