MMsINC Database Search


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MMsINC code: MMs00017339

Type: Neutral
Formula: C₂₁H₁₈O₆

SMILES:

Oc1cc2Cc3cc(O)c(O)cc3Cc3cc(O)c(O)cc3Cc2cc1O

InChI:

InChI=1/C21H18O6/c22-16-4-10-1-11-5-17(23)19(25)7-13(11)3-15-9-21(27)20(26)8-14(15)2-12(10)6-18(16)24/h4-9,22-27H,1-3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.154 kcal/mol

Physical Properties
Molecular Weight: 366.369 g/mol	logS: -3.91682	SlogP: 3.00591	Reactive groups: 0

Topological Properties
Globularity: 0.340897	Sterimol/B1: 3.80099	Sterimol/B2: 3.98862	Sterimol/B3: 4.26369
Sterimol/B4: 8.30192	Sterimol/L: 12.5776

Surface and Volume Properties
Accessible surface: 560.187	Positive charged surface: 366.759	Negative charged surface: 193.429	Volume: 322.25
Hydrophobic surface: 266.263	Hydrophilic surface: 293.924

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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.