MMsINC Database Search


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MMsINC code: MMs02309149

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

O(C(=O)c1c2c3c4c(ccc3ccc2ccc1)cccc4)C

InChI:

InChI=1/C20H14O2/c1-22-20(21)17-8-4-6-14-11-12-15-10-9-13-5-2-3-7-16(13)18(15)19(14)17/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.923 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.40025	SlogP: 4.9328	Reactive groups: 0

Topological Properties
Globularity: 0.173643	Sterimol/B1: 2.50239	Sterimol/B2: 2.56947	Sterimol/B3: 5.25029
Sterimol/B4: 9.43071	Sterimol/L: 12.2667

Surface and Volume Properties
Accessible surface: 490.297	Positive charged surface: 291.855	Negative charged surface: 180.118	Volume: 279
Hydrophobic surface: 470.818	Hydrophilic surface: 19.479

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.