MMsINC Database Search


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MMsINC code: MMs02804256

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O=C(N(C(C(=O)NC(c1ccccc1)c1ccccc1)(C)C)C)c1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.722 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -4.68259	SlogP: 3.9335	Reactive groups: 0

Topological Properties
Globularity: 0.139985	Sterimol/B1: 2.52925	Sterimol/B2: 4.08276	Sterimol/B3: 4.85172
Sterimol/B4: 9.68511	Sterimol/L: 16.5161

Surface and Volume Properties
Accessible surface: 653.954	Positive charged surface: 395.186	Negative charged surface: 258.768	Volume: 391
Hydrophobic surface: 581.524	Hydrophilic surface: 72.43

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.