MMsINC Database Search


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MMsINC code: MMs03482756

Type: Neutral
Formula: C₂₁H₁₄O₂

SMILES:

O(C)c1c2c3c4c(cccc4cc2)c(O)cc3c2c1cccc2

InChI:

InChI=1/C21H14O2/c1-23-21-14-7-3-2-6-13(14)17-11-18(22)15-8-4-5-12-9-10-16(21)20(17)19(12)15/h2-11,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.853 kcal/mol

Physical Properties
Molecular Weight: 298.341 g/mol	logS: -8.03633	SlogP: 5.4514	Reactive groups: 0

Topological Properties
Globularity: 0.0179013	Sterimol/B1: 2.08571	Sterimol/B2: 2.35978	Sterimol/B3: 3.15721
Sterimol/B4: 8.15316	Sterimol/L: 14.132

Surface and Volume Properties
Accessible surface: 502.644	Positive charged surface: 273.098	Negative charged surface: 183.954	Volume: 286.875
Hydrophobic surface: 449.234	Hydrophilic surface: 53.41

Pharmacophoric Properties
Hydrogen bond donors: 1	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.