MMsINC Database Search


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MMsINC code: MMs00618179

Type: Neutral
Formula: C₁₈H₁₆O₃

SMILES:

O1c2c(ccc(OCc3ccccc3)c2C)C(=CC1=O)C

InChI:

InChI=1/C18H16O3/c1-12-10-17(19)21-18-13(2)16(9-8-15(12)18)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4346 kcal/mol

Physical Properties
Molecular Weight: 280.323 g/mol	logS: -5.08015	SlogP: 4.16272	Reactive groups: 0

Topological Properties
Globularity: 0.0496738	Sterimol/B1: 2.03979	Sterimol/B2: 3.61386	Sterimol/B3: 3.62209
Sterimol/B4: 6.58732	Sterimol/L: 16.3449

Surface and Volume Properties
Accessible surface: 534.503	Positive charged surface: 304.832	Negative charged surface: 229.671	Volume: 277
Hydrophobic surface: 470.42	Hydrophilic surface: 64.083

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.