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MMsINC code: MMs02521757

Type: Neutral
Formula: C₁₇H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)CC(=O)NC1CCCCCC1)C

InChI:

InChI=1/C17H26N2O3S/c1-23(21,22)19(13-15-9-5-4-6-10-15)14-17(20)18-16-11-7-2-3-8-12-16/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.1039 kcal/mol

Physical Properties
Molecular Weight: 338.472 g/mol	logS: -3.40141	SlogP: 2.5536	Reactive groups: 0

Topological Properties
Globularity: 0.0878409	Sterimol/B1: 2.52021	Sterimol/B2: 3.66168	Sterimol/B3: 4.20613
Sterimol/B4: 8.59569	Sterimol/L: 16.8529

Surface and Volume Properties
Accessible surface: 586.057	Positive charged surface: 384.559	Negative charged surface: 201.498	Volume: 327.375
Hydrophobic surface: 496.328	Hydrophilic surface: 89.729

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.