MMsINC Database Search


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MMsINC code: MMs00527587

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O1CCOc2c1cc(cc2)C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C16H14O4/c1-18-13-5-2-11(3-6-13)16(17)12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.237 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.75767	SlogP: 2.6974	Reactive groups: 0

Topological Properties
Globularity: 0.030767	Sterimol/B1: 2.83591	Sterimol/B2: 3.33926	Sterimol/B3: 3.44861
Sterimol/B4: 6.14466	Sterimol/L: 15.7028

Surface and Volume Properties
Accessible surface: 496.957	Positive charged surface: 336.637	Negative charged surface: 160.32	Volume: 252.75
Hydrophobic surface: 428.867	Hydrophilic surface: 68.09

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.