MMsINC Database Search


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MMsINC code: MMs01687993

Type: Neutral
Formula: C₂₄H₂₁N₃O₂

SMILES:

O(C)c1ccccc1CNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H21N3O2/c1-29-22-15-9-8-12-19(22)16-25-24(28)21-17-27(20-13-6-3-7-14-20)26-23(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.287 kcal/mol

Physical Properties
Molecular Weight: 383.451 g/mol	logS: -5.89838	SlogP: 4.7443	Reactive groups: 0

Topological Properties
Globularity: 0.113773	Sterimol/B1: 2.39419	Sterimol/B2: 7.26193	Sterimol/B3: 7.45709
Sterimol/B4: 7.73389	Sterimol/L: 15.5534

Surface and Volume Properties
Accessible surface: 690.088	Positive charged surface: 408.453	Negative charged surface: 281.635	Volume: 378.25
Hydrophobic surface: 626.32	Hydrophilic surface: 63.768

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.