MMsINC Database Search


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MMsINC code: MMs00893101

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1cc(n(CC(=O)Nc2ccc(cc2)CC)c1C)-c1ccccc1)CC

InChI:

InChI=1/C24H26N2O3/c1-4-18-11-13-20(14-12-18)25-23(27)16-26-17(3)21(24(28)29-5-2)15-22(26)19-9-7-6-8-10-19/h6-15H,4-5,16H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.103 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -6.12519	SlogP: 5.10769	Reactive groups: 0

Topological Properties
Globularity: 0.120829	Sterimol/B1: 2.04412	Sterimol/B2: 3.50782	Sterimol/B3: 7.11424
Sterimol/B4: 8.58118	Sterimol/L: 18.722

Surface and Volume Properties
Accessible surface: 709.462	Positive charged surface: 445.19	Negative charged surface: 264.272	Volume: 396
Hydrophobic surface: 595.094	Hydrophilic surface: 114.368

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.