MMsINC Database Search


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MMsINC code: MMs02906595

Type: Neutral
Formula: C₂₃H₃₀O₃

SMILES:

O(C(=O)CCCOc1ccc(cc1)C(CC)(C)C)c1cc(cc(c1)C)C

InChI:

InChI=1/C23H30O3/c1-6-23(4,5)19-9-11-20(12-10-19)25-13-7-8-22(24)26-21-15-17(2)14-18(3)16-21/h9-12,14-16H,6-8,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.515 kcal/mol

Physical Properties
Molecular Weight: 354.49 g/mol	logS: -7.14209	SlogP: 5.75564	Reactive groups: 0

Topological Properties
Globularity: 0.0310524	Sterimol/B1: 2.38548	Sterimol/B2: 3.57921	Sterimol/B3: 5.26781
Sterimol/B4: 5.61965	Sterimol/L: 21.3031

Surface and Volume Properties
Accessible surface: 705.417	Positive charged surface: 460.643	Negative charged surface: 244.774	Volume: 380.625
Hydrophobic surface: 612.102	Hydrophilic surface: 93.315

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.