MMsINC Database Search


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MMsINC code: MMs00686505

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)CCNC(=O)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C26H24N2O2/c1-18-24(26(29)27-17-16-19-12-14-21(30-2)15-13-19)22-10-6-7-11-23(22)28-25(18)20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.501 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.55495	SlogP: 5.19129	Reactive groups: 0

Topological Properties
Globularity: 0.0234189	Sterimol/B1: 3.12576	Sterimol/B2: 3.79712	Sterimol/B3: 4.25725
Sterimol/B4: 8.68918	Sterimol/L: 20.677

Surface and Volume Properties
Accessible surface: 708.19	Positive charged surface: 427.736	Negative charged surface: 273.985	Volume: 398
Hydrophobic surface: 645.403	Hydrophilic surface: 62.787

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.