MMsINC Database Search


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MMsINC code: MMs02377389

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

O1CC1c1c2c(c3c(cc2)cccc3)cc2c1cccc2

InChI:

InChI=1/C20H14O/c1-3-7-15-13(5-1)9-10-17-18(15)11-14-6-2-4-8-16(14)20(17)19-12-21-19/h1-11,19H,12H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6768 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -7.28356	SlogP: 5.313	Reactive groups: 1

Topological Properties
Globularity: 0.0219931	Sterimol/B1: 2.91863	Sterimol/B2: 3.18273	Sterimol/B3: 4.64601
Sterimol/B4: 6.23882	Sterimol/L: 14.2879

Surface and Volume Properties
Accessible surface: 481.12	Positive charged surface: 234.975	Negative charged surface: 215.048	Volume: 271.75
Hydrophobic surface: 467.202	Hydrophilic surface: 13.918

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.