MMsINC Database Search


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MMsINC code: MMs01143190

Type: Neutral
Formula: C₁₉H₂₆N₂O₃S₂

SMILES:

s1c(ccc1C)CN(Cc1ccccc1)C(=O)CN(S(=O)(=O)C)C(C)C

InChI:

InChI=1/C19H26N2O3S2/c1-15(2)21(26(4,23)24)14-19(22)20(12-17-8-6-5-7-9-17)13-18-11-10-16(3)25-18/h5-11,15H,12-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6925 kcal/mol

Physical Properties
Molecular Weight: 394.56 g/mol	logS: -3.85144	SlogP: 3.78812	Reactive groups: 0

Topological Properties
Globularity: 0.212206	Sterimol/B1: 3.61623	Sterimol/B2: 5.30278	Sterimol/B3: 6.39046
Sterimol/B4: 6.514	Sterimol/L: 14.503

Surface and Volume Properties
Accessible surface: 624.477	Positive charged surface: 350.332	Negative charged surface: 274.144	Volume: 375.375
Hydrophobic surface: 516.724	Hydrophilic surface: 107.753

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.