MMsINC Database Search


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MMsINC code: MMs00746283

Type: Neutral
Formula: C₂₇H₂₄O₃

SMILES:

O(Cc1cc(ccc1COc1ccccc1)COc1ccccc1)c1ccccc1

InChI:

InChI=1/C27H24O3/c1-4-10-25(11-5-1)28-19-22-16-17-23(20-29-26-12-6-2-7-13-26)24(18-22)21-30-27-14-8-3-9-15-27/h1-18H,19-21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.208 kcal/mol

Physical Properties
Molecular Weight: 396.486 g/mol	logS: -6.83972	SlogP: 7.2228	Reactive groups: 0

Topological Properties
Globularity: 0.0354205	Sterimol/B1: 3.61326	Sterimol/B2: 3.63127	Sterimol/B3: 5.01613
Sterimol/B4: 10.2065	Sterimol/L: 20.1951

Surface and Volume Properties
Accessible surface: 742.612	Positive charged surface: 408.315	Negative charged surface: 334.296	Volume: 405.5
Hydrophobic surface: 722.899	Hydrophilic surface: 19.713

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.