MMsINC Database Search


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MMsINC code: MMs02175565

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

O1C(=C(C)C(=O)C(C)=C1c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16O2/c1-13-17(20)14(2)19(16-11-7-4-8-12-16)21-18(13)15-9-5-3-6-10-15/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1813 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.12424	SlogP: 4.4481	Reactive groups: 1

Topological Properties
Globularity: 0.0929458	Sterimol/B1: 2.9818	Sterimol/B2: 3.21742	Sterimol/B3: 3.66085
Sterimol/B4: 6.75278	Sterimol/L: 14.4152

Surface and Volume Properties
Accessible surface: 524.963	Positive charged surface: 292.822	Negative charged surface: 232.141	Volume: 279.75
Hydrophobic surface: 490.091	Hydrophilic surface: 34.872

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.