MMsINC Database Search


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MMsINC code: MMs03410563

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

Oc1ccc(cc1)CCCCCCCc1ccc(O)cc1

InChI:

InChI=1/C19H24O2/c20-18-12-8-16(9-13-18)6-4-2-1-3-5-7-17-10-14-19(21)15-11-17/h8-15,20-21H,1-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.3251 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -5.72838	SlogP: 4.83344	Reactive groups: 0

Topological Properties
Globularity: 0.0490165	Sterimol/B1: 2.45565	Sterimol/B2: 3.57229	Sterimol/B3: 3.66122
Sterimol/B4: 4.94453	Sterimol/L: 20.9702

Surface and Volume Properties
Accessible surface: 610.535	Positive charged surface: 408.063	Negative charged surface: 202.472	Volume: 306.375
Hydrophobic surface: 506.068	Hydrophilic surface: 104.467

Pharmacophoric Properties
Hydrogen bond donors: 2	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.