MMsINC Database Search


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MMsINC code: MMs02840050

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1C=Cc2c(ccc3c2c(cc2c3cccc2)C)C1O

InChI:

InChI=1/C19H16O2/c1-11-10-12-4-2-3-5-13(12)14-6-7-16-15(18(11)14)8-9-17(20)19(16)21/h2-10,17,19-21H,1H3/t17-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.543 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.81126	SlogP: 3.81802	Reactive groups: 0

Topological Properties
Globularity: 0.0465494	Sterimol/B1: 2.22345	Sterimol/B2: 3.07317	Sterimol/B3: 3.43461
Sterimol/B4: 7.53401	Sterimol/L: 14.261

Surface and Volume Properties
Accessible surface: 481.308	Positive charged surface: 274.971	Negative charged surface: 186.878	Volume: 269.5
Hydrophobic surface: 379.914	Hydrophilic surface: 101.394

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.