MMsINC Database Search


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MMsINC code: MMs02102895

Type: Neutral
Formula: C₁₉H₁₅NO₄

SMILES:

O1c2c(OC1)cc1ncc(C(=O)c3ccc(OC)cc3)c(c1c2)C

InChI:

InChI=1/C19H15NO4/c1-11-14-7-17-18(24-10-23-17)8-16(14)20-9-15(11)19(21)12-3-5-13(22-2)6-4-12/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.151 kcal/mol

Physical Properties
Molecular Weight: 321.332 g/mol	logS: -4.52563	SlogP: 3.51152	Reactive groups: 0

Topological Properties
Globularity: 0.0962831	Sterimol/B1: 2.20292	Sterimol/B2: 4.62765	Sterimol/B3: 5.01385
Sterimol/B4: 5.94066	Sterimol/L: 16.2377

Surface and Volume Properties
Accessible surface: 540.865	Positive charged surface: 350.683	Negative charged surface: 185.728	Volume: 297.375
Hydrophobic surface: 423.73	Hydrophilic surface: 117.135

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.