MMsINC Database Search


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MMsINC code: MMs03284315

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(O)c1ccccc1

InChI:

InChI=1/C20H16O2/c21-20(14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13,19-21H/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.191 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.17668	SlogP: 4.7533	Reactive groups: 0

Topological Properties
Globularity: 0.0879174	Sterimol/B1: 3.33074	Sterimol/B2: 3.44568	Sterimol/B3: 3.53561
Sterimol/B4: 7.18004	Sterimol/L: 14.2647

Surface and Volume Properties
Accessible surface: 491.512	Positive charged surface: 273.404	Negative charged surface: 218.109	Volume: 284.125
Hydrophobic surface: 461.66	Hydrophilic surface: 29.852

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.