MMsINC Database Search


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MMsINC code: MMs03542791

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

Oc1cccc(Cc2ccccc2)c1-c1ccccc1

InChI:

InChI=1/C19H16O/c20-18-13-7-12-17(14-15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13,20H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7029 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -5.56569	SlogP: 4.64997	Reactive groups: 0

Topological Properties
Globularity: 0.256073	Sterimol/B1: 2.63905	Sterimol/B2: 4.03581	Sterimol/B3: 4.65405
Sterimol/B4: 7.70982	Sterimol/L: 11.4637

Surface and Volume Properties
Accessible surface: 475.943	Positive charged surface: 283.832	Negative charged surface: 190.745	Volume: 271.875
Hydrophobic surface: 435.657	Hydrophilic surface: 40.286

Pharmacophoric Properties
Hydrogen bond donors: 1	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.