MMsINC Database Search


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MMsINC code: MMs02341297

Type: Neutral
Formula: C₁₆H₁₅NO₂S

SMILES:

S(C(=O)CNC(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15NO2S/c18-15(11-13-7-3-1-4-8-13)17-12-16(19)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8648 kcal/mol

Physical Properties
Molecular Weight: 285.367 g/mol	logS: -4.79553	SlogP: 2.66417	Reactive groups: 0

Topological Properties
Globularity: 0.0365063	Sterimol/B1: 3.41659	Sterimol/B2: 3.7369	Sterimol/B3: 3.74704
Sterimol/B4: 3.82401	Sterimol/L: 18.3455

Surface and Volume Properties
Accessible surface: 552.297	Positive charged surface: 309.349	Negative charged surface: 242.948	Volume: 275.625
Hydrophobic surface: 442.439	Hydrophilic surface: 109.858

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.