MMsINC Database Search


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MMsINC code: MMs02698653

Type: Neutral
Formula: C₂₀H₁₉N₃O₂

SMILES:

O(CC)c1ccc(NC(=O)c2cnc(nc2C)-c2ccccc2)cc1

InChI:

InChI=1/C20H19N3O2/c1-3-25-17-11-9-16(10-12-17)23-20(24)18-13-21-19(22-14(18)2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7967 kcal/mol

Physical Properties
Molecular Weight: 333.391 g/mol	logS: -5.63437	SlogP: 4.10302	Reactive groups: 0

Topological Properties
Globularity: 0.0098634	Sterimol/B1: 2.60075	Sterimol/B2: 3.36394	Sterimol/B3: 4.36852
Sterimol/B4: 4.80416	Sterimol/L: 21.2694

Surface and Volume Properties
Accessible surface: 625.573	Positive charged surface: 394.608	Negative charged surface: 224.718	Volume: 329.125
Hydrophobic surface: 544.165	Hydrophilic surface: 81.408

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.