MMsINC Database Search


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MMsINC code: MMs00295116

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

Oc1c2c(C3c4c(C2c2c3cccc2)cccc4)c(O)cc1

InChI:

InChI=1/C20H14O2/c21-15-9-10-16(22)20-18-12-6-2-1-5-11(12)17(19(15)20)13-7-3-4-8-14(13)18/h1-10,17-18,21-22H/t17-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.921 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -4.26076	SlogP: 4.085	Reactive groups: 0

Topological Properties
Globularity: 0.608275	Sterimol/B1: 2.48609	Sterimol/B2: 3.49685	Sterimol/B3: 5.54409
Sterimol/B4: 8.82498	Sterimol/L: 10.2095

Surface and Volume Properties
Accessible surface: 501.622	Positive charged surface: 283.277	Negative charged surface: 218.344	Volume: 274.625
Hydrophobic surface: 415.93	Hydrophilic surface: 85.692

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.