MMsINC Database Search


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MMsINC code: MMs02341296

Type: Neutral
Formula: C₁₀H₁₁NO₂S

SMILES:

SC(=O)CNC(=O)Cc1ccccc1

InChI:

InChI=1/C10H11NO2S/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3383 kcal/mol

Physical Properties
Molecular Weight: 209.269 g/mol	logS: -2.96825	SlogP: 0.80167	Reactive groups: 0

Topological Properties
Globularity: 0.0711369	Sterimol/B1: 2.71508	Sterimol/B2: 3.61744	Sterimol/B3: 3.61863
Sterimol/B4: 3.82716	Sterimol/L: 14.8142

Surface and Volume Properties
Accessible surface: 430.201	Positive charged surface: 235.209	Negative charged surface: 194.992	Volume: 198.5
Hydrophobic surface: 281.967	Hydrophilic surface: 148.234

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.