MMsINC Database Search


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MMsINC code: MMs00634945

Type: Neutral
Formula: C₁₉H₁₈O₄

SMILES:

O1c2c(ccc(OCc3cc(OC)ccc3)c2C)C(=CC1=O)C

InChI:

InChI=1/C19H18O4/c1-12-9-18(20)23-19-13(2)17(8-7-16(12)19)22-11-14-5-4-6-15(10-14)21-3/h4-10H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1314 kcal/mol

Physical Properties
Molecular Weight: 310.349 g/mol	logS: -5.13053	SlogP: 4.17132	Reactive groups: 0

Topological Properties
Globularity: 0.0548781	Sterimol/B1: 2.11422	Sterimol/B2: 3.48832	Sterimol/B3: 4.68448
Sterimol/B4: 6.4932	Sterimol/L: 17.312

Surface and Volume Properties
Accessible surface: 575.505	Positive charged surface: 361.079	Negative charged surface: 214.425	Volume: 300
Hydrophobic surface: 501.177	Hydrophilic surface: 74.328

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.