MMsINC Database Search


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MMsINC code: MMs01058752

Type: Neutral
Formula: C₂₃H₂₅N₃O₃

SMILES:

O(C)c1cc2c3N(CCC(C)C)C(=O)N(C(=O)c3n(c2cc1)C)c1ccccc1

InChI:

InChI=1/C23H25N3O3/c1-15(2)12-13-25-20-18-14-17(29-4)10-11-19(18)24(3)21(20)22(27)26(23(25)28)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5512 kcal/mol

Physical Properties
Molecular Weight: 391.471 g/mol	logS: -5.49641	SlogP: 5.179	Reactive groups: 0

Topological Properties
Globularity: 0.0703569	Sterimol/B1: 3.13781	Sterimol/B2: 3.68039	Sterimol/B3: 4.05094
Sterimol/B4: 9.41847	Sterimol/L: 17.9313

Surface and Volume Properties
Accessible surface: 650.454	Positive charged surface: 439.037	Negative charged surface: 206.479	Volume: 384
Hydrophobic surface: 553.682	Hydrophilic surface: 96.772

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

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Ions/Tautomers related molecules: no related molecules available.