MMsINC Database Search


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MMsINC code: MMs03133880

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

o1c2c(c3c1cccc3)cccc2-c1ccccc1OC

InChI:

InChI=1/C19H14O2/c1-20-17-11-4-2-7-13(17)15-9-6-10-16-14-8-3-5-12-18(14)21-19(15)16/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2128 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -7.15365	SlogP: 5.2616	Reactive groups: 0

Topological Properties
Globularity: 0.14678	Sterimol/B1: 2.27019	Sterimol/B2: 2.29335	Sterimol/B3: 6.02715
Sterimol/B4: 7.83943	Sterimol/L: 14.2557

Surface and Volume Properties
Accessible surface: 510.017	Positive charged surface: 304.297	Negative charged surface: 192.78	Volume: 273.375
Hydrophobic surface: 503.004	Hydrophilic surface: 7.013

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.