MMsINC Database Search


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MMsINC code: MMs00745610

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCOc1ccc(OC)cc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H24O3/c1-19(2,3)15-5-7-17(8-6-15)21-13-14-22-18-11-9-16(20-4)10-12-18/h5-12H,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.536 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -5.34994	SlogP: 4.4505	Reactive groups: 0

Topological Properties
Globularity: 0.0334908	Sterimol/B1: 2.10711	Sterimol/B2: 3.71745	Sterimol/B3: 3.95424
Sterimol/B4: 4.74462	Sterimol/L: 20.1567

Surface and Volume Properties
Accessible surface: 605.287	Positive charged surface: 416.176	Negative charged surface: 189.11	Volume: 316.375
Hydrophobic surface: 531.072	Hydrophilic surface: 74.215

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.