MMsINC Database Search


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MMsINC code: MMs01238829

Type: Neutral
Formula: C₁₅H₁₇NO₂S

SMILES:

S(=O)(=O)(NCc1ccccc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H17NO2S/c1-12-8-9-15(10-13(12)2)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2551 kcal/mol

Physical Properties
Molecular Weight: 275.372 g/mol	logS: -3.9386	SlogP: 3.04834	Reactive groups: 0

Topological Properties
Globularity: 0.13042	Sterimol/B1: 2.5798	Sterimol/B2: 3.14321	Sterimol/B3: 4.66783
Sterimol/B4: 6.24681	Sterimol/L: 15.3944

Surface and Volume Properties
Accessible surface: 518.282	Positive charged surface: 278.568	Negative charged surface: 239.714	Volume: 265
Hydrophobic surface: 433.955	Hydrophilic surface: 84.327

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.