MMsINC Database Search


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MMsINC code: MMs02714514

Type: Neutral
Formula: C₂₄H₂₆O₄

SMILES:

O(Cc1ccccc1)c1cc(OC)ccc1CC(OC)C(O)c1ccccc1

InChI:

InChI=1/C24H26O4/c1-26-21-14-13-20(22(16-21)28-17-18-9-5-3-6-10-18)15-23(27-2)24(25)19-11-7-4-8-12-19/h3-14,16,23-25H,15,17H2,1-2H3/t23-,24+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.905 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.99657	SlogP: 4.92717	Reactive groups: 0

Topological Properties
Globularity: 0.141998	Sterimol/B1: 2.56947	Sterimol/B2: 3.17575	Sterimol/B3: 4.97205
Sterimol/B4: 10.2362	Sterimol/L: 16.0008

Surface and Volume Properties
Accessible surface: 663.538	Positive charged surface: 439.411	Negative charged surface: 224.127	Volume: 382.125
Hydrophobic surface: 619.177	Hydrophilic surface: 44.361

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.