MMsINC Database Search


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MMsINC code: MMs03540802

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

OC1CCc2c(cc3c4c5c(ccc24)cccc5cc3)C1O

InChI:

InChI=1/C20H16O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-7,10,17,20-22H,8-9H2/t17-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7259 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.42414	SlogP: 4.01997	Reactive groups: 0

Topological Properties
Globularity: 0.0202992	Sterimol/B1: 2.82988	Sterimol/B2: 3.06175	Sterimol/B3: 4.34093
Sterimol/B4: 5.73603	Sterimol/L: 14.9837

Surface and Volume Properties
Accessible surface: 487.696	Positive charged surface: 264.683	Negative charged surface: 189.799	Volume: 279.375
Hydrophobic surface: 400.832	Hydrophilic surface: 86.864

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.