MMsINC Database Search


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MMsINC code: MMs01766933

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C1Nc2c(C=C1CN(C(=O)c1ccccc1)c1cc(C)c(cc1)C)cccc2C

InChI:

InChI=1/C26H24N2O2/c1-17-12-13-23(14-19(17)3)28(26(30)20-9-5-4-6-10-20)16-22-15-21-11-7-8-18(2)24(21)27-25(22)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)=145.481 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.99143	SlogP: 5.29436	Reactive groups: 0

Topological Properties
Globularity: 0.159175	Sterimol/B1: 2.30461	Sterimol/B2: 2.98203	Sterimol/B3: 6.38324
Sterimol/B4: 8.8245	Sterimol/L: 15.4136

Surface and Volume Properties
Accessible surface: 659.249	Positive charged surface: 406.119	Negative charged surface: 253.13	Volume: 395.5
Hydrophobic surface: 590.515	Hydrophilic surface: 68.734

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.