MMsINC Database Search


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MMsINC code: MMs01172452

Type: Neutral
Formula: C₂₆H₃₂N₂O₃

SMILES:

O(CCCC)c1ccc(cc1)C(=O)N(Cc1n(ccc1)Cc1ccccc1)CCOC

InChI:

InChI=1/C26H32N2O3/c1-3-4-18-31-25-14-12-23(13-15-25)26(29)28(17-19-30-2)21-24-11-8-16-27(24)20-22-9-6-5-7-10-22/h5-16H,3-4,17-21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.879 kcal/mol

Physical Properties
Molecular Weight: 420.553 g/mol	logS: -4.68819	SlogP: 5.5369	Reactive groups: 0

Topological Properties
Globularity: 0.0554275	Sterimol/B1: 3.74238	Sterimol/B2: 4.77777	Sterimol/B3: 5.51229
Sterimol/B4: 6.28553	Sterimol/L: 22.3557

Surface and Volume Properties
Accessible surface: 760.368	Positive charged surface: 517.168	Negative charged surface: 243.199	Volume: 439.25
Hydrophobic surface: 675.698	Hydrophilic surface: 84.67

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: 0

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Ions/Tautomers related molecules: no related molecules available.