MMsINC Database Search


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MMsINC code: MMs00693486

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O1c2cc(OCC(C)=C)ccc2C=C(c2ccccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9364 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.11205	SlogP: 4.1011	Reactive groups: 0

Topological Properties
Globularity: 0.0220719	Sterimol/B1: 2.95761	Sterimol/B2: 2.96084	Sterimol/B3: 3.18252
Sterimol/B4: 4.90234	Sterimol/L: 18.9442

Surface and Volume Properties
Accessible surface: 556.449	Positive charged surface: 306.403	Negative charged surface: 250.046	Volume: 293.125
Hydrophobic surface: 452.949	Hydrophilic surface: 103.5

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.