MMsINC Database Search


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MMsINC code: MMs01506183

Type: Neutral
Formula: C₁₆H₁₈N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C16H18N2O3S/c1-18(2)22(20,21)15-10-8-14(9-11-15)17-16(19)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2853 kcal/mol

Physical Properties
Molecular Weight: 318.397 g/mol	logS: -3.3299	SlogP: 2.11807	Reactive groups: 0

Topological Properties
Globularity: 0.0526186	Sterimol/B1: 3.03978	Sterimol/B2: 4.05747	Sterimol/B3: 4.34802
Sterimol/B4: 4.61306	Sterimol/L: 17.2215

Surface and Volume Properties
Accessible surface: 562.252	Positive charged surface: 362.003	Negative charged surface: 200.249	Volume: 297.875
Hydrophobic surface: 469.022	Hydrophilic surface: 93.23

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.