MMsINC Database Search


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MMsINC code: MMs00866820

Type: Neutral
Formula: C₁₉H₂₂O

SMILES:

Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C19H22O/c1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17/h5-12,20H,2-4,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0313 kcal/mol

Physical Properties
Molecular Weight: 266.384 g/mol	logS: -6.08729	SlogP: 4.95082	Reactive groups: 0

Topological Properties
Globularity: 0.245431	Sterimol/B1: 2.49034	Sterimol/B2: 3.38802	Sterimol/B3: 3.96729
Sterimol/B4: 8.17149	Sterimol/L: 13.348

Surface and Volume Properties
Accessible surface: 501.371	Positive charged surface: 333.616	Negative charged surface: 167.755	Volume: 284
Hydrophobic surface: 450.134	Hydrophilic surface: 51.237

Pharmacophoric Properties
Hydrogen bond donors: 1	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.