MMsINC Database Search


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MMsINC code: MMs01713068

Type: Neutral
Formula: C₁₈H₂₆N₂O₂S

SMILES:

S(CC(=O)N(CC(=O)Nc1ccc(cc1)C)C)C1CCCCC1

InChI:

InChI=1/C18H26N2O2S/c1-14-8-10-15(11-9-14)19-17(21)12-20(2)18(22)13-23-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2185 kcal/mol

Physical Properties
Molecular Weight: 334.484 g/mol	logS: -4.59049	SlogP: 3.45782	Reactive groups: 0

Topological Properties
Globularity: 0.0297965	Sterimol/B1: 2.28024	Sterimol/B2: 2.69924	Sterimol/B3: 4.06493
Sterimol/B4: 7.40294	Sterimol/L: 19.684

Surface and Volume Properties
Accessible surface: 634.408	Positive charged surface: 446.597	Negative charged surface: 187.811	Volume: 337.25
Hydrophobic surface: 536.587	Hydrophilic surface: 97.821

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.