MMsINC Database Search


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MMsINC code: MMs02662869

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4337 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.5997	SlogP: 2.923	Reactive groups: 0

Topological Properties
Globularity: 0.0406825	Sterimol/B1: 2.37967	Sterimol/B2: 3.24326	Sterimol/B3: 3.28697
Sterimol/B4: 4.86385	Sterimol/L: 18.1613

Surface and Volume Properties
Accessible surface: 502.834	Positive charged surface: 335.964	Negative charged surface: 166.869	Volume: 247.625
Hydrophobic surface: 451.16	Hydrophilic surface: 51.674

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.