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MMsINC code: MMs01131392

Type: Neutral
Formula: C₂₅H₂₆N₂O₂

SMILES:

o1c2cc(n(c2cc1)Cc1ccc(cc1)C(C)(C)C)C(=O)NCc1ccccc1

InChI:

InChI=1/C25H26N2O2/c1-25(2,3)20-11-9-19(10-12-20)17-27-21-13-14-29-23(21)15-22(27)24(28)26-16-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.902 kcal/mol

Physical Properties
Molecular Weight: 386.495 g/mol	logS: -6.99067	SlogP: 6.0429	Reactive groups: 0

Topological Properties
Globularity: 0.178841	Sterimol/B1: 3.59223	Sterimol/B2: 4.2649	Sterimol/B3: 5.08943
Sterimol/B4: 8.13471	Sterimol/L: 13.6953

Surface and Volume Properties
Accessible surface: 631.404	Positive charged surface: 367.287	Negative charged surface: 264.118	Volume: 393.375
Hydrophobic surface: 513.031	Hydrophilic surface: 118.373

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.