MMsINC Database Search


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MMsINC code: MMs00785916

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(C)c(NC(=O)Cn2cc(c3c2cccc3)C(=O)c2ccccc2)cc1C

InChI:

InChI=1/C26H24N2O3/c1-17-14-24(31-3)18(2)13-22(17)27-25(29)16-28-15-21(20-11-7-8-12-23(20)28)26(30)19-9-5-4-6-10-19/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)=134.573 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.00935	SlogP: 5.40284	Reactive groups: 0

Topological Properties
Globularity: 0.130942	Sterimol/B1: 2.32398	Sterimol/B2: 5.59798	Sterimol/B3: 7.09714
Sterimol/B4: 8.00139	Sterimol/L: 17.5043

Surface and Volume Properties
Accessible surface: 723.093	Positive charged surface: 443.766	Negative charged surface: 273.92	Volume: 408
Hydrophobic surface: 656.028	Hydrophilic surface: 67.065

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.