MMsINC Database Search


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MMsINC code: MMs01380455

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C(=O)c1ccccc1Nc1cccc(C)c1C)CC(=O)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C26H24N2O3/c1-16-9-8-14-21(17(16)2)28-23-13-7-5-11-20(23)26(30)31-15-24(29)25-18(3)27-22-12-6-4-10-19(22)25/h4-14,27-28H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.582 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.72386	SlogP: 5.87646	Reactive groups: 0

Topological Properties
Globularity: 0.140065	Sterimol/B1: 2.28972	Sterimol/B2: 4.13569	Sterimol/B3: 5.59557
Sterimol/B4: 10.9648	Sterimol/L: 16.613

Surface and Volume Properties
Accessible surface: 714.21	Positive charged surface: 411.375	Negative charged surface: 298.221	Volume: 404.875
Hydrophobic surface: 629.923	Hydrophilic surface: 84.287

Pharmacophoric Properties
Hydrogen bond donors: 2	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.