MMsINC Database Search


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MMsINC code: MMs02652990

Type: Neutral
Formula: C₁₇H₁₅NO₃S

SMILES:

S(=O)(=O)(Nc1ccccc1CO)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H15NO3S/c19-12-15-7-3-4-8-17(15)18-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18-19H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6888 kcal/mol

Physical Properties
Molecular Weight: 313.377 g/mol	logS: -4.69562	SlogP: 3.3993	Reactive groups: 0

Topological Properties
Globularity: 0.242667	Sterimol/B1: 2.62221	Sterimol/B2: 4.54811	Sterimol/B3: 5.01524
Sterimol/B4: 6.63555	Sterimol/L: 12.7472

Surface and Volume Properties
Accessible surface: 513.999	Positive charged surface: 270.623	Negative charged surface: 235.267	Volume: 283.75
Hydrophobic surface: 383.87	Hydrophilic surface: 130.129

Pharmacophoric Properties
Hydrogen bond donors: 2	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.