MMsINC Database Search


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MMsINC code: MMs01875107

Type: Neutral
Formula: C₂₀H₁₆O₃

SMILES:

O1c2c(cccc2)C(O)(c2c1cccc2)c1ccc(OC)cc1

InChI:

InChI=1/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.657 kcal/mol

Physical Properties
Molecular Weight: 304.345 g/mol	logS: -5.29103	SlogP: 4.3966	Reactive groups: 0

Topological Properties
Globularity: 0.255604	Sterimol/B1: 2.80096	Sterimol/B2: 5.37332	Sterimol/B3: 5.88667
Sterimol/B4: 6.34055	Sterimol/L: 12.889

Surface and Volume Properties
Accessible surface: 528.695	Positive charged surface: 313.961	Negative charged surface: 214.735	Volume: 294.5
Hydrophobic surface: 493.205	Hydrophilic surface: 35.49

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.