MMsINC Database Search


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MMsINC code: MMs00733515

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

O(CCCOc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C17H20O2/c1-14-4-8-16(9-5-14)18-12-3-13-19-17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4649 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -4.42959	SlogP: 4.15134	Reactive groups: 0

Topological Properties
Globularity: 0.00801974	Sterimol/B1: 2.51223	Sterimol/B2: 2.51423	Sterimol/B3: 2.6018
Sterimol/B4: 5.29289	Sterimol/L: 19.2442

Surface and Volume Properties
Accessible surface: 558.931	Positive charged surface: 354.297	Negative charged surface: 204.634	Volume: 275.5
Hydrophobic surface: 546.041	Hydrophilic surface: 12.89

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.