MMsINC Database Search


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MMsINC code: MMs02246184

Type: Neutral
Formula: C₁₉H₁₈O₂

SMILES:

O(C(=O)C(C)(C)C)c1c2c(cc3c1cccc3)cccc2

InChI:

InChI=1/C19H18O2/c1-19(2,3)18(20)21-17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1169 kcal/mol

Physical Properties
Molecular Weight: 278.351 g/mol	logS: -6.09947	SlogP: 4.9445	Reactive groups: 0

Topological Properties
Globularity: 0.0753203	Sterimol/B1: 2.05031	Sterimol/B2: 4.58564	Sterimol/B3: 6.02875
Sterimol/B4: 6.02976	Sterimol/L: 12.2988

Surface and Volume Properties
Accessible surface: 506.804	Positive charged surface: 273.424	Negative charged surface: 215.789	Volume: 288.25
Hydrophobic surface: 436.62	Hydrophilic surface: 70.184

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

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.