MMsINC Database Search


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MMsINC code: MMs00008675

Type: Neutral
Formula: C₂₁H₁₆O₂

SMILES:

Oc1ccc2c(cccc2)c1Cc1c2c(ccc1O)cccc2

InChI:

InChI=1/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.844 kcal/mol

Physical Properties
Molecular Weight: 300.357 g/mol	logS: -6.21967	SlogP: 4.99497	Reactive groups: 0

Topological Properties
Globularity: 0.105162	Sterimol/B1: 3.01654	Sterimol/B2: 3.83318	Sterimol/B3: 4.42437
Sterimol/B4: 5.85878	Sterimol/L: 14.4303

Surface and Volume Properties
Accessible surface: 496.616	Positive charged surface: 275.74	Negative charged surface: 204.651	Volume: 293.5
Hydrophobic surface: 452.16	Hydrophilic surface: 44.456

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.