MMsINC Database Search


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MMsINC code: MMs02906594

Type: Neutral
Formula: C₂₃H₃₀O₃

SMILES:

O(C(=O)CCCOc1ccc(cc1)C(CC)(C)C)c1c(cccc1C)C

InChI:

InChI=1/C23H30O3/c1-6-23(4,5)19-12-14-20(15-13-19)25-16-8-11-21(24)26-22-17(2)9-7-10-18(22)3/h7,9-10,12-15H,6,8,11,16H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.447 kcal/mol

Physical Properties
Molecular Weight: 354.49 g/mol	logS: -6.51519	SlogP: 5.75564	Reactive groups: 0

Topological Properties
Globularity: 0.0401723	Sterimol/B1: 2.56346	Sterimol/B2: 4.74227	Sterimol/B3: 4.7612
Sterimol/B4: 6.19161	Sterimol/L: 21.252

Surface and Volume Properties
Accessible surface: 684.573	Positive charged surface: 441.923	Negative charged surface: 242.65	Volume: 378.625
Hydrophobic surface: 602.727	Hydrophilic surface: 81.846

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.