MMsINC Database Search


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MMsINC code: MMs02425673

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O1C(=CC(OC)=CC1=O)\C=C/c1ccc(OC)cc1

InChI:

InChI=1/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8715 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.95546	SlogP: 2.6794	Reactive groups: 0

Topological Properties
Globularity: 0.0569836	Sterimol/B1: 2.39275	Sterimol/B2: 2.78907	Sterimol/B3: 3.83884
Sterimol/B4: 7.12672	Sterimol/L: 14.8093

Surface and Volume Properties
Accessible surface: 476.122	Positive charged surface: 326.091	Negative charged surface: 150.031	Volume: 246.375
Hydrophobic surface: 418.502	Hydrophilic surface: 57.62

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.