MMsINC Database Search


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MMsINC code: MMs01684467

Type: Neutral
Formula: C₂₅H₂₆N₂O₃

SMILES:

O(C)c1ccc(NC(=O)CN(C(=O)c2ccccc2CCc2ccccc2)C)cc1

InChI:

InChI=1/C25H26N2O3/c1-27(18-24(28)26-21-14-16-22(30-2)17-15-21)25(29)23-11-7-6-10-20(23)13-12-19-8-4-3-5-9-19/h3-11,14-17H,12-13,18H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.32 kcal/mol

Physical Properties
Molecular Weight: 402.494 g/mol	logS: -5.96313	SlogP: 4.19104	Reactive groups: 0

Topological Properties
Globularity: 0.06772	Sterimol/B1: 2.31227	Sterimol/B2: 4.31549	Sterimol/B3: 6.10419
Sterimol/B4: 9.31899	Sterimol/L: 19.9046

Surface and Volume Properties
Accessible surface: 712.189	Positive charged surface: 464.481	Negative charged surface: 247.708	Volume: 404
Hydrophobic surface: 650.168	Hydrophilic surface: 62.021

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.