MMsINC Database Search


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MMsINC code: MMs01189657

Type: Neutral
Formula: C₂₄H₁₉N₃O₃

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)c1c2ncccc2ccc1)Cc1cccnc1

InChI:

InChI=1/C24H19N3O3/c28-24(20-7-1-5-19-6-3-11-26-23(19)20)27(15-18-4-2-10-25-13-18)14-17-8-9-21-22(12-17)30-16-29-21/h1-13H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.763 kcal/mol

Physical Properties
Molecular Weight: 397.434 g/mol	logS: -4.24632	SlogP: 4.7339	Reactive groups: 0

Topological Properties
Globularity: 0.0940334	Sterimol/B1: 3.16662	Sterimol/B2: 4.24891	Sterimol/B3: 4.40394
Sterimol/B4: 10.5147	Sterimol/L: 13.9515

Surface and Volume Properties
Accessible surface: 619.416	Positive charged surface: 404.846	Negative charged surface: 209.999	Volume: 372.75
Hydrophobic surface: 504.864	Hydrophilic surface: 114.552

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: 0

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Ions/Tautomers related molecules: no related molecules available.