MMsINC Database Search


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MMsINC code: MMs01371760

Type: Neutral
Formula: C₁₈H₁₈O₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)COC(=O)c1ccc(cc1)C

InChI:

InChI=1/C18H18O5/c1-12-4-6-13(7-5-12)18(20)23-11-16(19)15-9-8-14(21-2)10-17(15)22-3/h4-10H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.471 kcal/mol

Physical Properties
Molecular Weight: 314.337 g/mol	logS: -4.44054	SlogP: 3.05192	Reactive groups: 0

Topological Properties
Globularity: 0.00630144	Sterimol/B1: 2.38267	Sterimol/B2: 2.51221	Sterimol/B3: 4.76662
Sterimol/B4: 5.41953	Sterimol/L: 19.3941

Surface and Volume Properties
Accessible surface: 590.019	Positive charged surface: 397.204	Negative charged surface: 192.815	Volume: 301.875
Hydrophobic surface: 506.204	Hydrophilic surface: 83.815

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.