MMsINC Database Search


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MMsINC code: MMs01511961

Type: Neutral
Formula: C₁₉H₃₀N₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(=O)NC1CCCCCCC1

InChI:

InChI=1/C19H30N2O3S/c1-3-21(4-2)25(23,24)18-14-12-16(13-15-18)19(22)20-17-10-8-6-5-7-9-11-17/h12-15,17H,3-11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8011 kcal/mol

Physical Properties
Molecular Weight: 366.526 g/mol	logS: -4.60057	SlogP: 3.5598	Reactive groups: 0

Topological Properties
Globularity: 0.062092	Sterimol/B1: 2.50903	Sterimol/B2: 3.03909	Sterimol/B3: 5.43627
Sterimol/B4: 6.00186	Sterimol/L: 18.1799

Surface and Volume Properties
Accessible surface: 623.364	Positive charged surface: 407.078	Negative charged surface: 216.286	Volume: 359.5
Hydrophobic surface: 498.699	Hydrophilic surface: 124.665

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.