MMsINC Database Search


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MMsINC code: MMs03653396

Type: Neutral
Formula: C₂₃H₂₃N₃O₂

SMILES:

O=C(NCc1ccc(cc1)C)c1nc(ccc1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C23H23N3O2/c1-16-6-10-18(11-7-16)14-24-22(27)20-4-3-5-21(26-20)23(28)25-15-19-12-8-17(2)9-13-19/h3-13H,14-15H2,1-2H3,(H,24,27)(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5734 kcal/mol

Physical Properties
Molecular Weight: 373.456 g/mol	logS: -5.20848	SlogP: 4.09124	Reactive groups: 0

Topological Properties
Globularity: 0.0908385	Sterimol/B1: 3.22748	Sterimol/B2: 3.61805	Sterimol/B3: 3.61817
Sterimol/B4: 8.19887	Sterimol/L: 15.2481

Surface and Volume Properties
Accessible surface: 659.487	Positive charged surface: 402.645	Negative charged surface: 256.842	Volume: 379.125
Hydrophobic surface: 542.542	Hydrophilic surface: 116.945

Pharmacophoric Properties
Hydrogen bond donors: 2	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.