MMsINC Database Search


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MMsINC code: MMs00625247

Type: Neutral
Formula: C₁₈H₁₄O₃

SMILES:

o1cccc1C(OC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C18H14O3/c19-18(16-12-7-13-20-16)21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6463 kcal/mol

Physical Properties
Molecular Weight: 278.307 g/mol	logS: -5.05398	SlogP: 4.3215	Reactive groups: 0

Topological Properties
Globularity: 0.196841	Sterimol/B1: 2.4394	Sterimol/B2: 3.33821	Sterimol/B3: 4.55245
Sterimol/B4: 8.96713	Sterimol/L: 13.7314

Surface and Volume Properties
Accessible surface: 531.571	Positive charged surface: 265.153	Negative charged surface: 266.419	Volume: 272.125
Hydrophobic surface: 492.297	Hydrophilic surface: 39.274

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.