MMsINC Database Search


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MMsINC code: MMs00657124

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(CCn1c2cc(C)c(cc2nc1)C)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C24H22N2O2/c1-17-14-22-23(15-18(17)2)26(16-25-22)12-13-28-21-10-8-20(9-11-21)24(27)19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.491 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.56396	SlogP: 5.22954	Reactive groups: 0

Topological Properties
Globularity: 0.0392916	Sterimol/B1: 2.87709	Sterimol/B2: 2.92938	Sterimol/B3: 4.5111
Sterimol/B4: 6.7697	Sterimol/L: 21.0381

Surface and Volume Properties
Accessible surface: 674.901	Positive charged surface: 401.235	Negative charged surface: 273.666	Volume: 371.875
Hydrophobic surface: 604.686	Hydrophilic surface: 70.215

Pharmacophoric Properties
Hydrogen bond donors: 0	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.