MMsINC Database Search


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MMsINC code: MMs02906777

Type: Neutral
Formula: C₂₄H₃₂O₃

SMILES:

O(C(=O)CCCOc1cc(C)c(cc1)C(C)C)c1ccccc1C(C)(C)C

InChI:

InChI=1/C24H32O3/c1-17(2)20-14-13-19(16-18(20)3)26-15-9-12-23(25)27-22-11-8-7-10-21(22)24(4,5)6/h7-8,10-11,13-14,16-17H,9,12,15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.665 kcal/mol

Physical Properties
Molecular Weight: 368.517 g/mol	logS: -7.34386	SlogP: 6.18052	Reactive groups: 0

Topological Properties
Globularity: 0.0482121	Sterimol/B1: 2.47268	Sterimol/B2: 3.88572	Sterimol/B3: 5.88899
Sterimol/B4: 5.89614	Sterimol/L: 20.2876

Surface and Volume Properties
Accessible surface: 691.801	Positive charged surface: 453.9	Negative charged surface: 237.902	Volume: 393
Hydrophobic surface: 580.771	Hydrophilic surface: 111.03

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.