MMsINC Database Search


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MMsINC code: MMs00586758

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O1c2c(ccc(OCC(C)=C)c2)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C19H16O3/c1-13(2)12-21-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)22-18(16)10-15/h3-11H,1,12H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6495 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.11205	SlogP: 3.80949	Reactive groups: 0

Topological Properties
Globularity: 0.0377886	Sterimol/B1: 3.09028	Sterimol/B2: 3.26678	Sterimol/B3: 3.57646
Sterimol/B4: 8.00335	Sterimol/L: 15.5267

Surface and Volume Properties
Accessible surface: 541.652	Positive charged surface: 302.602	Negative charged surface: 239.05	Volume: 288
Hydrophobic surface: 431.009	Hydrophilic surface: 110.643

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.