MMsINC Database Search


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MMsINC code: MMs02476213

Type: Neutral
Formula: C₂₄H₂₄O₅

SMILES:

O1c2c(C=CC1(C)C)c(O)c1c(Oc3c(c(CC=C(C)C)c(OC)cc3)C1=O)c2

InChI:

InChI=1/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.239 kcal/mol

Physical Properties
Molecular Weight: 392.451 g/mol	logS: -6.84705	SlogP: 5.43037	Reactive groups: 0

Topological Properties
Globularity: 0.0518941	Sterimol/B1: 2.77926	Sterimol/B2: 3.38604	Sterimol/B3: 4.66003
Sterimol/B4: 7.52496	Sterimol/L: 17.7854

Surface and Volume Properties
Accessible surface: 653.813	Positive charged surface: 463.221	Negative charged surface: 190.593	Volume: 377.375
Hydrophobic surface: 543.694	Hydrophilic surface: 110.119

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.