MMsINC Database Search


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MMsINC code: MMs01467899

Type: Neutral
Formula: C₁₇H₁₉NO₅S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(OCCOc1ccccc1)=O

InChI:

InChI=1/C17H19NO5S/c1-18(2)24(20,21)16-10-8-14(9-11-16)17(19)23-13-12-22-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9701 kcal/mol

Physical Properties
Molecular Weight: 349.407 g/mol	logS: -3.52489	SlogP: 2.1727	Reactive groups: 0

Topological Properties
Globularity: 0.0429017	Sterimol/B1: 2.36305	Sterimol/B2: 3.26589	Sterimol/B3: 4.18796
Sterimol/B4: 7.78893	Sterimol/L: 17.9305

Surface and Volume Properties
Accessible surface: 617.229	Positive charged surface: 393.62	Negative charged surface: 223.609	Volume: 319.5
Hydrophobic surface: 520.97	Hydrophilic surface: 96.259

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.