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MMsINC code: MMs02252833

Type: Neutral
Formula: C₁₇H₁₈O

SMILES:

O=C(Cc1ccccc1)c1c(cc(cc1C)C)C

InChI:

InChI=1/C17H18O/c1-12-9-13(2)17(14(3)10-12)16(18)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1475 kcal/mol

Physical Properties
Molecular Weight: 238.33 g/mol	logS: -4.94092	SlogP: 4.03723	Reactive groups: 0

Topological Properties
Globularity: 0.033852	Sterimol/B1: 2.89895	Sterimol/B2: 3.35144	Sterimol/B3: 4.66064
Sterimol/B4: 4.89656	Sterimol/L: 15.1938

Surface and Volume Properties
Accessible surface: 480.953	Positive charged surface: 277.151	Negative charged surface: 203.802	Volume: 258.375
Hydrophobic surface: 461.058	Hydrophilic surface: 19.895

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.