MMsINC Database Search


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MMsINC code: MMs01291840

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccccc1)c1cc(ccc1C)C

InChI:

InChI=1/C15H15NO3S/c1-11-8-9-12(2)14(10-11)20(18,19)16-15(17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5047 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -4.21235	SlogP: 2.42214	Reactive groups: 0

Topological Properties
Globularity: 0.120824	Sterimol/B1: 2.26027	Sterimol/B2: 3.81513	Sterimol/B3: 4.6766
Sterimol/B4: 6.86551	Sterimol/L: 14.6324

Surface and Volume Properties
Accessible surface: 500.902	Positive charged surface: 252.728	Negative charged surface: 248.174	Volume: 265.625
Hydrophobic surface: 412.267	Hydrophilic surface: 88.635

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

MMs01291841
ENAMINE-ZINC03163785