MMsINC Database Search


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MMsINC code: MMs00097928

Type: Neutral
Formula: C₁₅H₁₅NO₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1cc(O)ccc1

InChI:

InChI=1/C15H15NO4/c1-19-13-7-6-10(8-14(13)20-2)15(18)16-11-4-3-5-12(17)9-11/h3-9,17H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5544 kcal/mol

Physical Properties
Molecular Weight: 273.288 g/mol	logS: -3.09368	SlogP: 2.6617	Reactive groups: 0

Topological Properties
Globularity: 0.0291789	Sterimol/B1: 2.11552	Sterimol/B2: 2.85903	Sterimol/B3: 3.26678
Sterimol/B4: 7.40553	Sterimol/L: 16.0497

Surface and Volume Properties
Accessible surface: 514.417	Positive charged surface: 354.207	Negative charged surface: 160.21	Volume: 256.25
Hydrophobic surface: 408.699	Hydrophilic surface: 105.718

Pharmacophoric Properties
Hydrogen bond donors: 2	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.