MMsINC Database Search


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MMsINC code: MMs03356429

Type: Neutral
Formula: C₂₄H₃₄O₃

SMILES:

O(C)c1ccc(cc1)C(OC)(C)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:

InChI=1/C24H34O3/c1-22(2,3)19-14-17(15-20(21(19)25)23(4,5)6)24(7,27-9)16-10-12-18(26-8)13-11-16/h10-15,25H,1-9H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.282 kcal/mol

Physical Properties
Molecular Weight: 370.533 g/mol	logS: -6.69688	SlogP: 6.2172	Reactive groups: 0

Topological Properties
Globularity: 0.237931	Sterimol/B1: 2.8153	Sterimol/B2: 3.81324	Sterimol/B3: 6.31793
Sterimol/B4: 8.61758	Sterimol/L: 15.5902

Surface and Volume Properties
Accessible surface: 625.044	Positive charged surface: 452.108	Negative charged surface: 172.935	Volume: 393
Hydrophobic surface: 483.123	Hydrophilic surface: 141.921

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.