MMsINC Database Search


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MMsINC code: MMs01436950

Type: Neutral
Formula: C₂₀H₃₀N₂O₃S

SMILES:

S(=O)(=O)(N1CCCCC1)c1cc(C(=O)NCC2CCCCC2)c(cc1)C

InChI:

InChI=1/C20H30N2O3S/c1-16-10-11-18(26(24,25)22-12-6-3-7-13-22)14-19(16)20(23)21-15-17-8-4-2-5-9-17/h10-11,14,17H,2-9,12-13,15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1414 kcal/mol

Physical Properties
Molecular Weight: 378.537 g/mol	logS: -4.84701	SlogP: 3.47972	Reactive groups: 0

Topological Properties
Globularity: 0.0574309	Sterimol/B1: 2.10771	Sterimol/B2: 2.52271	Sterimol/B3: 5.04238
Sterimol/B4: 10.3575	Sterimol/L: 16.5072

Surface and Volume Properties
Accessible surface: 648.506	Positive charged surface: 457.888	Negative charged surface: 190.618	Volume: 367.25
Hydrophobic surface: 568.372	Hydrophilic surface: 80.134

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.