MMsINC Database Search


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MMsINC code: MMs01815032

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C1Nc2c(C=C1CN(C(=O)c1ccccc1C)c1ccccc1C)cc(cc2)C

InChI:

InChI=1/C26H24N2O2/c1-17-12-13-23-20(14-17)15-21(25(29)27-23)16-28(24-11-7-5-9-19(24)3)26(30)22-10-6-4-8-18(22)2/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)=118.965 kcal/mol

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

Topological Properties
Globularity: 0.165326	Sterimol/B1: 3.54487	Sterimol/B2: 4.48947	Sterimol/B3: 4.92267
Sterimol/B4: 7.32244	Sterimol/L: 15.4786

Surface and Volume Properties
Accessible surface: 642.303	Positive charged surface: 391.707	Negative charged surface: 250.596	Volume: 398.625
Hydrophobic surface: 575.16	Hydrophilic surface: 67.143

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.