MMsINC Database Search


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MMsINC code: MMs00233266

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O=C1c2c(cccc2)C(=O)C1=Cc1c(C)c(C)c(cc1C)C

InChI:

InChI=1/C20H18O2/c1-11-9-12(2)17(14(4)13(11)3)10-18-19(21)15-7-5-6-8-16(15)20(18)22/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.444 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.32253	SlogP: 4.38288	Reactive groups: 1

Topological Properties
Globularity: 0.116059	Sterimol/B1: 2.68667	Sterimol/B2: 3.8101	Sterimol/B3: 5.07052
Sterimol/B4: 5.95382	Sterimol/L: 15.3345

Surface and Volume Properties
Accessible surface: 526.286	Positive charged surface: 302.824	Negative charged surface: 223.462	Volume: 294.125
Hydrophobic surface: 464.086	Hydrophilic surface: 62.2

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.