MMsINC Database Search


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MMsINC code: MMs03459486

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

OC1C=Cc2c(cc3c(ccc4c3cccc4)c2CC)C1O

InChI:

InChI=1/C20H18O2/c1-2-13-15-8-7-12-5-3-4-6-14(12)17(15)11-18-16(13)9-10-19(21)20(18)22/h3-11,19-22H,2H2,1H3/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.061 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.32648	SlogP: 4.07197	Reactive groups: 0

Topological Properties
Globularity: 0.0694874	Sterimol/B1: 2.50728	Sterimol/B2: 2.57967	Sterimol/B3: 4.71903
Sterimol/B4: 8.01145	Sterimol/L: 14.2752

Surface and Volume Properties
Accessible surface: 509.306	Positive charged surface: 294.77	Negative charged surface: 194.668	Volume: 289.5
Hydrophobic surface: 383.263	Hydrophilic surface: 126.043

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.