MMsINC Database Search


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MMsINC code: MMs02688072

Type: Neutral
Formula: C₁₇H₂₀N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)c1cccc(C)c1C)c1ccc(cc1)C

InChI:

InChI=1/C17H20N2O3S/c1-12-7-9-15(10-8-12)23(21,22)19(11-17(18)20)16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2597 kcal/mol

Physical Properties
Molecular Weight: 332.424 g/mol	logS: -4.50917	SlogP: 2.29246	Reactive groups: 0

Topological Properties
Globularity: 0.160173	Sterimol/B1: 3.32521	Sterimol/B2: 4.75747	Sterimol/B3: 5.11935
Sterimol/B4: 6.09518	Sterimol/L: 13.4834

Surface and Volume Properties
Accessible surface: 538.967	Positive charged surface: 320.172	Negative charged surface: 218.795	Volume: 309.75
Hydrophobic surface: 392.372	Hydrophilic surface: 146.595

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.