MMsINC Database Search


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MMsINC code: MMs03340650

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

o1cccc1\C=C\C(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H14O2/c20-19(13-12-18-7-4-14-21-18)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14H/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1987 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -6.14146	SlogP: 4.8427	Reactive groups: 1

Topological Properties
Globularity: 2.63345e-07	Sterimol/B1: 2.09869	Sterimol/B2: 2.10213	Sterimol/B3: 3.54971
Sterimol/B4: 5.53359	Sterimol/L: 18.5696

Surface and Volume Properties
Accessible surface: 539.237	Positive charged surface: 235.777	Negative charged surface: 292.389	Volume: 277.625
Hydrophobic surface: 498.866	Hydrophilic surface: 40.371

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.