MMsINC Database Search


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MMsINC code: MMs01616578

Type: Neutral
Formula: C₁₈H₂₀O₄

SMILES:

O(C(=O)c1cc(OC)c(OC)cc1)c1c(C)c(ccc1C)C

InChI:

InChI=1/C18H20O4/c1-11-6-7-12(2)17(13(11)3)22-18(19)14-8-9-15(20-4)16(10-14)21-5/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.307 kcal/mol

Physical Properties
Molecular Weight: 300.354 g/mol	logS: -4.39456	SlogP: 3.84826	Reactive groups: 0

Topological Properties
Globularity: 0.160399	Sterimol/B1: 2.43748	Sterimol/B2: 4.64068	Sterimol/B3: 4.82962
Sterimol/B4: 6.63094	Sterimol/L: 15.947

Surface and Volume Properties
Accessible surface: 565.07	Positive charged surface: 388.646	Negative charged surface: 176.425	Volume: 301.875
Hydrophobic surface: 528.622	Hydrophilic surface: 36.448

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.