MMsINC Database Search


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MMsINC code: MMs02450058

Type: Neutral
Formula: C₂₇H₂₀O₂

SMILES:

Oc1ccc2c(cccc2)c1C(c1c2c(ccc1O)cccc2)c1ccccc1

InChI:

InChI=1/C27H20O2/c28-23-16-14-18-8-4-6-12-21(18)26(23)25(20-10-2-1-3-11-20)27-22-13-7-5-9-19(22)15-17-24(27)29/h1-17,25,28-29H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.307 kcal/mol

Physical Properties
Molecular Weight: 376.455 g/mol	logS: -7.86213	SlogP: 6.5844	Reactive groups: 0

Topological Properties
Globularity: 0.282848	Sterimol/B1: 2.38283	Sterimol/B2: 4.55441	Sterimol/B3: 4.75948
Sterimol/B4: 11.0964	Sterimol/L: 13.1347

Surface and Volume Properties
Accessible surface: 584.812	Positive charged surface: 318.542	Negative charged surface: 256.773	Volume: 369.5
Hydrophobic surface: 550.704	Hydrophilic surface: 34.108

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.