MMsINC Database Search


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MMsINC code: MMs03483164

Type: Neutral
Formula: C₁₇H₂₀O₅

SMILES:

O(C)c1cc(cc(OC)c1O)CCc1cc(OC)c(O)cc1

InChI:

InChI=1/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.98 kcal/mol

Physical Properties
Molecular Weight: 304.342 g/mol	logS: -3.30342	SlogP: 2.90874	Reactive groups: 0

Topological Properties
Globularity: 0.023919	Sterimol/B1: 2.68726	Sterimol/B2: 2.74955	Sterimol/B3: 3.86404
Sterimol/B4: 7.84196	Sterimol/L: 15.3501

Surface and Volume Properties
Accessible surface: 576.21	Positive charged surface: 440.376	Negative charged surface: 135.834	Volume: 296.375
Hydrophobic surface: 453.806	Hydrophilic surface: 122.404

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.