MMsINC Database Search


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MMsINC code: MMs01763628

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC1=Cc2c(NC1=O)c(ccc2)C)c1ccc(cc1)C

InChI:

InChI=1/C26H24N2O3/c1-17-10-12-22(13-11-17)28(26(30)20-8-5-9-23(15-20)31-3)16-21-14-19-7-4-6-18(2)24(19)27-25(21)29/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)=154.154 kcal/mol

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

Topological Properties
Globularity: 0.140859	Sterimol/B1: 2.44163	Sterimol/B2: 3.17314	Sterimol/B3: 5.87597
Sterimol/B4: 11.2164	Sterimol/L: 15.8732

Surface and Volume Properties
Accessible surface: 666.84	Positive charged surface: 436.927	Negative charged surface: 229.914	Volume: 400.375
Hydrophobic surface: 587.985	Hydrophilic surface: 78.855

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.