MMsINC Database Search


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MMsINC code: MMs02765814

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C(C(=O)Nc1ccccc1CC)C)c1ccc(cc1)C)C

InChI:

InChI=1/C19H24N2O3S/c1-5-16-8-6-7-9-18(16)20-19(22)15(3)21(25(4,23)24)17-12-10-14(2)11-13-17/h6-13,15H,5H2,1-4H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.359 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.77169	SlogP: 3.35059	Reactive groups: 0

Topological Properties
Globularity: 0.184822	Sterimol/B1: 2.92285	Sterimol/B2: 3.87694	Sterimol/B3: 5.54617
Sterimol/B4: 7.23541	Sterimol/L: 13.6082

Surface and Volume Properties
Accessible surface: 608.433	Positive charged surface: 351.583	Negative charged surface: 256.85	Volume: 344.75
Hydrophobic surface: 501.836	Hydrophilic surface: 106.597

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.