MMsINC Database Search


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MMsINC code: MMs03546897

Type: Neutral
Formula: C₂₀H₁₂O₂

SMILES:

Oc1c2c3c4c(cccc4cc2)c(O)cc3c2c1cccc2

InChI:

InChI=1/C20H12O2/c21-17-10-16-12-5-1-2-6-13(12)20(22)15-9-8-11-4-3-7-14(17)18(11)19(15)16/h1-10,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.73 kcal/mol

Physical Properties
Molecular Weight: 284.314 g/mol	logS: -7.624	SlogP: 5.1484	Reactive groups: 0

Topological Properties
Globularity: 0.00383896	Sterimol/B1: 2.19996	Sterimol/B2: 2.2183	Sterimol/B3: 3.82326
Sterimol/B4: 6.79733	Sterimol/L: 14.2997

Surface and Volume Properties
Accessible surface: 478.499	Positive charged surface: 231.382	Negative charged surface: 202.832	Volume: 267.875
Hydrophobic surface: 393.862	Hydrophilic surface: 84.637

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.