MMsINC Database Search


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MMsINC code: MMs03034923

Type: Neutral
Formula: C₁₅H₁₂N₂O₃S

SMILES:

S(=O)(=O)(n1cc(c2c1cccc2)C(=O)N)c1ccccc1

InChI:

InChI=1/C15H12N2O3S/c16-15(18)13-10-17(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5805 kcal/mol

Physical Properties
Molecular Weight: 300.338 g/mol	logS: -3.86786	SlogP: 1.9772	Reactive groups: 0

Topological Properties
Globularity: 0.126062	Sterimol/B1: 2.17771	Sterimol/B2: 4.02937	Sterimol/B3: 5.76359
Sterimol/B4: 5.92559	Sterimol/L: 12.9328

Surface and Volume Properties
Accessible surface: 485.744	Positive charged surface: 225.027	Negative charged surface: 255.2	Volume: 260
Hydrophobic surface: 314.726	Hydrophilic surface: 171.018

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.