MMsINC Database Search


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MMsINC code: MMs02713978

Type: Neutral
Formula: C₁₈H₁₅NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C18H15NO3S/c1-13-9-11-15(12-10-13)23(21,22)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.63 kcal/mol

Physical Properties
Molecular Weight: 325.388 g/mol	logS: -5.92976	SlogP: 3.26692	Reactive groups: 0

Topological Properties
Globularity: 0.102062	Sterimol/B1: 2.54615	Sterimol/B2: 3.15789	Sterimol/B3: 5.81468
Sterimol/B4: 7.16958	Sterimol/L: 14.7881

Surface and Volume Properties
Accessible surface: 548.483	Positive charged surface: 263.606	Negative charged surface: 273.751	Volume: 295.875
Hydrophobic surface: 460.674	Hydrophilic surface: 87.809

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: no related molecules available.