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MMsINC code: MMs02328051

Type: Neutral
Formula: C₁₄H₁₈O

SMILES:

O(CC=C)c1c(cc(cc1\C=C\C)C)C

InChI:

InChI=1/C14H18O/c1-5-7-13-10-11(3)9-12(4)14(13)15-8-6-2/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.799 kcal/mol

Physical Properties
Molecular Weight: 202.297 g/mol	logS: -3.67952	SlogP: 3.90134	Reactive groups: 0

Topological Properties
Globularity: 0.058352	Sterimol/B1: 2.42322	Sterimol/B2: 2.74302	Sterimol/B3: 3.11376
Sterimol/B4: 9.45936	Sterimol/L: 13.2349

Surface and Volume Properties
Accessible surface: 466.711	Positive charged surface: 283.639	Negative charged surface: 183.072	Volume: 233.875
Hydrophobic surface: 391.163	Hydrophilic surface: 75.548

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.