MMsINC Database Search


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MMsINC code: MMs00234086

Type: Neutral
Formula: C₂₃H₁₉N₃O₃

SMILES:

O(C)c1ccc(N(C(=O)c2cccnc2)CC2=Cc3c(NC2=O)cccc3)cc1

InChI:

InChI=1/C23H19N3O3/c1-29-20-10-8-19(9-11-20)26(23(28)17-6-4-12-24-14-17)15-18-13-16-5-2-3-7-21(16)25-22(18)27/h2-14H,15H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.028 kcal/mol

Physical Properties
Molecular Weight: 385.423 g/mol	logS: -4.67536	SlogP: 3.7727	Reactive groups: 0

Topological Properties
Globularity: 0.15676	Sterimol/B1: 2.14234	Sterimol/B2: 2.1846	Sterimol/B3: 5.98235
Sterimol/B4: 9.30937	Sterimol/L: 15.4698

Surface and Volume Properties
Accessible surface: 628.286	Positive charged surface: 418.853	Negative charged surface: 209.433	Volume: 362.25
Hydrophobic surface: 527.659	Hydrophilic surface: 100.627

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.