MMsINC Database Search


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MMsINC code: MMs00630363

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

o1c2c(cc(O)c3c2cccc3)c(C(=O)c2ccccc2)c1C

InChI:

InChI=1/C20H14O3/c1-12-18(19(22)13-7-3-2-4-8-13)16-11-17(21)14-9-5-6-10-15(14)20(16)23-12/h2-11,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7296 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -6.73234	SlogP: 4.83102	Reactive groups: 0

Topological Properties
Globularity: 0.107043	Sterimol/B1: 2.39956	Sterimol/B2: 3.76206	Sterimol/B3: 4.92299
Sterimol/B4: 8.19834	Sterimol/L: 15.3153

Surface and Volume Properties
Accessible surface: 533.125	Positive charged surface: 274.954	Negative charged surface: 244.995	Volume: 289.5
Hydrophobic surface: 453.762	Hydrophilic surface: 79.363

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.