MMsINC Database Search


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MMsINC code: MMs02017133

Type: Neutral
Formula: C₂₁H₁₆N₂O₄

SMILES:

O1c2c(-c3nc(NC(=O)c4ccccc4OC)cc(c3C1=O)C)cccc2

InChI:

InChI=1/C21H16N2O4/c1-12-11-17(23-20(24)14-8-4-5-9-15(14)26-2)22-19-13-7-3-6-10-16(13)27-21(25)18(12)19/h3-11H,1-2H3,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.907 kcal/mol

Physical Properties
Molecular Weight: 360.369 g/mol	logS: -6.20777	SlogP: 3.85052	Reactive groups: 0

Topological Properties
Globularity: 0.00666094	Sterimol/B1: 2.27814	Sterimol/B2: 2.33402	Sterimol/B3: 2.49433
Sterimol/B4: 9.84324	Sterimol/L: 16.0656

Surface and Volume Properties
Accessible surface: 593.389	Positive charged surface: 363.419	Negative charged surface: 225.299	Volume: 329.375
Hydrophobic surface: 492.544	Hydrophilic surface: 100.845

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.