MMsINC Database Search


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MMsINC code: MMs02431584

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

o1c2c(cc(OCc3ccccc3)cc2)c2c1cccc2

InChI:

InChI=1/C19H14O2/c1-2-6-14(7-3-1)13-20-15-10-11-19-17(12-15)16-8-4-5-9-18(16)21-19/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.037 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -6.49517	SlogP: 5.4314	Reactive groups: 0

Topological Properties
Globularity: 0.0389087	Sterimol/B1: 3.33669	Sterimol/B2: 3.61718	Sterimol/B3: 3.61822
Sterimol/B4: 6.09557	Sterimol/L: 17.4848

Surface and Volume Properties
Accessible surface: 528.242	Positive charged surface: 282.643	Negative charged surface: 234.23	Volume: 272
Hydrophobic surface: 506.192	Hydrophilic surface: 22.05

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.