MMsINC Database Search


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MMsINC code: MMs01451874

Type: Neutral
Formula: C₂₄H₁₉N₃O₃

SMILES:

O1c2cc(NC(=O)c3cn(nc3-c3ccc(cc3)C)-c3ccccc3)ccc2OC1

InChI:

InChI=1/C24H19N3O3/c1-16-7-9-17(10-8-16)23-20(14-27(26-23)19-5-3-2-4-6-19)24(28)25-18-11-12-21-22(13-18)30-15-29-21/h2-14H,15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.815 kcal/mol

Physical Properties
Molecular Weight: 397.434 g/mol	logS: -6.33298	SlogP: 4.82872	Reactive groups: 0

Topological Properties
Globularity: 0.0345735	Sterimol/B1: 2.07634	Sterimol/B2: 2.79075	Sterimol/B3: 3.75459
Sterimol/B4: 11.9214	Sterimol/L: 18.4236

Surface and Volume Properties
Accessible surface: 681.692	Positive charged surface: 388.235	Negative charged surface: 293.458	Volume: 375.25
Hydrophobic surface: 574.793	Hydrophilic surface: 106.899

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: 0

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Ions/Tautomers related molecules: no related molecules available.