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MMsINC code: MMs00529100

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

Oc1c(cc(cc1C(C)(C)C)CCC(=O)N\N=C\c1ccccc1)C(C)(C)C

InChI:

InChI=1/C24H32N2O2/c1-23(2,3)19-14-18(15-20(22(19)28)24(4,5)6)12-13-21(27)26-25-16-17-10-8-7-9-11-17/h7-11,14-16,28H,12-13H2,1-6H3,(H,26,27)/b25-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.523 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -6.53185	SlogP: 5.07007	Reactive groups: 0

Topological Properties
Globularity: 0.0531506	Sterimol/B1: 2.42949	Sterimol/B2: 3.66673	Sterimol/B3: 4.12737
Sterimol/B4: 9.76645	Sterimol/L: 19.7123

Surface and Volume Properties
Accessible surface: 719.463	Positive charged surface: 467.69	Negative charged surface: 251.773	Volume: 403.75
Hydrophobic surface: 522.554	Hydrophilic surface: 196.909

Pharmacophoric Properties
Hydrogen bond donors: 2	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.