MMsINC Database Search


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MMsINC code: MMs01764902

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC1=Cc2cc(ccc2NC1=O)C)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.008 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.56789	SlogP: 4.99454	Reactive groups: 0

Topological Properties
Globularity: 0.135575	Sterimol/B1: 4.18095	Sterimol/B2: 4.56449	Sterimol/B3: 4.5843
Sterimol/B4: 8.19001	Sterimol/L: 15.8641

Surface and Volume Properties
Accessible surface: 658.269	Positive charged surface: 424.336	Negative charged surface: 233.934	Volume: 401.75
Hydrophobic surface: 570.042	Hydrophilic surface: 88.227

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.