MMsINC Database Search


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MMsINC code: MMs03547279

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)c1c(cc2)cccc1

InChI:

InChI=1/C18H14O2/c19-17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18(17)20/h1-10,17-20H/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.95 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.38002	SlogP: 3.7782	Reactive groups: 0

Topological Properties
Globularity: 0.0943968	Sterimol/B1: 3.64663	Sterimol/B2: 3.67889	Sterimol/B3: 3.98932
Sterimol/B4: 6.27176	Sterimol/L: 12.409

Surface and Volume Properties
Accessible surface: 461.906	Positive charged surface: 259.506	Negative charged surface: 185.63	Volume: 252.625
Hydrophobic surface: 372.279	Hydrophilic surface: 89.627

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.