MMsINC Database Search


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MMsINC code: MMs02187937

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O(C)c1cc(OC)cc(O)c1C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5637 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.1965	SlogP: 2.6404	Reactive groups: 0

Topological Properties
Globularity: 0.145095	Sterimol/B1: 2.96229	Sterimol/B2: 3.60954	Sterimol/B3: 4.96357
Sterimol/B4: 7.03563	Sterimol/L: 14.4311

Surface and Volume Properties
Accessible surface: 479.148	Positive charged surface: 321.344	Negative charged surface: 157.805	Volume: 245.25
Hydrophobic surface: 394.156	Hydrophilic surface: 84.992

Pharmacophoric Properties
Hydrogen bond donors: 1	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.