MMsINC Database Search


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MMsINC code: MMs00288555

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3771 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -3.43457	SlogP: 2.7143	Reactive groups: 0

Topological Properties
Globularity: 0.109847	Sterimol/B1: 3.03269	Sterimol/B2: 3.72413	Sterimol/B3: 4.68782
Sterimol/B4: 5.08796	Sterimol/L: 14.7798

Surface and Volume Properties
Accessible surface: 495.586	Positive charged surface: 276.311	Negative charged surface: 219.275	Volume: 267.5
Hydrophobic surface: 405.996	Hydrophilic surface: 89.59

Pharmacophoric Properties
Hydrogen bond donors: 0	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.