MMsINC Database Search


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MMsINC code: MMs00594311

Type: Neutral
Formula: C₁₈H₁₆O₃

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(c2ccccc2C)=C1C

InChI:

InChI=1/C18H16O3/c1-11-6-4-5-7-14(11)17-12(2)21-16-10-13(20-3)8-9-15(16)18(17)19/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4747 kcal/mol

Physical Properties
Molecular Weight: 280.323 g/mol	logS: -5.08974	SlogP: 4.00992	Reactive groups: 1

Topological Properties
Globularity: 0.0977564	Sterimol/B1: 2.15855	Sterimol/B2: 3.53692	Sterimol/B3: 5.34205
Sterimol/B4: 6.27343	Sterimol/L: 16.4815

Surface and Volume Properties
Accessible surface: 509.797	Positive charged surface: 314.488	Negative charged surface: 195.309	Volume: 275.875
Hydrophobic surface: 471.168	Hydrophilic surface: 38.629

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.