MMsINC Database Search


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MMsINC code: MMs01152674

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O=C(Nc1cc(C(=O)NCc2ccccc2)c(N(C)C)cc1)c1ccccc1C

InChI:

InChI=1/C24H25N3O2/c1-17-9-7-8-12-20(17)24(29)26-19-13-14-22(27(2)3)21(15-19)23(28)25-16-18-10-5-4-6-11-18/h4-15H,16H2,1-3H3,(H,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.957 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -5.67023	SlogP: 4.50972	Reactive groups: 0

Topological Properties
Globularity: 0.0858597	Sterimol/B1: 2.6878	Sterimol/B2: 5.05164	Sterimol/B3: 6.64575
Sterimol/B4: 7.42332	Sterimol/L: 16.3483

Surface and Volume Properties
Accessible surface: 691.925	Positive charged surface: 456.64	Negative charged surface: 235.285	Volume: 392.5
Hydrophobic surface: 633.189	Hydrophilic surface: 58.736

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.