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MMsINC code: MMs01515982

Type: Neutral
Formula: C₁₈H₁₈N₂O₆

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N\N=C\c1ccccc1C(O)=O

InChI:

InChI=1/C18H18N2O6/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)20-19-10-11-6-4-5-7-13(11)18(22)23/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.674 kcal/mol

Physical Properties
Molecular Weight: 358.35 g/mol	logS: -3.65869	SlogP: 2.1745	Reactive groups: 0

Topological Properties
Globularity: 0.0114572	Sterimol/B1: 2.05931	Sterimol/B2: 2.34422	Sterimol/B3: 3.25005
Sterimol/B4: 9.23363	Sterimol/L: 18.2229

Surface and Volume Properties
Accessible surface: 637.372	Positive charged surface: 454.215	Negative charged surface: 183.157	Volume: 325.25
Hydrophobic surface: 453.014	Hydrophilic surface: 184.358

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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

MMs01515983
ENAMINE-ZINC03576393