MMsINC Database Search


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MMsINC code: MMs03153884

Type: Neutral
Formula: C₂₄H₂₃N₃O₂

SMILES:

O(c1cc(ccc1)CNc1ncc(n1C)-c1ccc(OC)cc1)c1ccccc1

InChI:

InChI=1/C24H23N3O2/c1-27-23(19-11-13-20(28-2)14-12-19)17-26-24(27)25-16-18-7-6-10-22(15-18)29-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.877 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -6.27748	SlogP: 6.1257	Reactive groups: 0

Topological Properties
Globularity: 0.0293477	Sterimol/B1: 3.57702	Sterimol/B2: 3.97317	Sterimol/B3: 4.0739
Sterimol/B4: 5.70068	Sterimol/L: 22.9564

Surface and Volume Properties
Accessible surface: 698.602	Positive charged surface: 470.372	Negative charged surface: 228.23	Volume: 385.5
Hydrophobic surface: 645.848	Hydrophilic surface: 52.754

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.