MMsINC Database Search


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MMsINC code: MMs00723945

Type: Neutral
Formula: C₁₈H₁₈O₆

SMILES:

O(CCOc1ccccc1C(OC)=O)c1ccccc1C(OC)=O

InChI:

InChI=1/C18H18O6/c1-21-17(19)13-7-3-5-9-15(13)23-11-12-24-16-10-6-4-8-14(16)18(20)22-2/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.042 kcal/mol

Physical Properties
Molecular Weight: 330.336 g/mol	logS: -4.04344	SlogP: 2.7176	Reactive groups: 0

Topological Properties
Globularity: 0.18909	Sterimol/B1: 2.28117	Sterimol/B2: 2.39042	Sterimol/B3: 7.28873
Sterimol/B4: 7.75248	Sterimol/L: 15.653

Surface and Volume Properties
Accessible surface: 604.863	Positive charged surface: 436.861	Negative charged surface: 168.003	Volume: 309.875
Hydrophobic surface: 546.783	Hydrophilic surface: 58.08

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.