MMsINC Database Search


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MMsINC code: MMs01060083

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

o1c(ccc1C)CNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C24H24N2O2/c1-16-9-11-21(28-16)14-25-24(27)20-10-12-23-22(13-20)17(2)18(3)26(23)15-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9976 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.78954	SlogP: 5.67066	Reactive groups: 0

Topological Properties
Globularity: 0.0487787	Sterimol/B1: 2.82644	Sterimol/B2: 3.73575	Sterimol/B3: 4.40854
Sterimol/B4: 8.25148	Sterimol/L: 18.0533

Surface and Volume Properties
Accessible surface: 690.95	Positive charged surface: 389.405	Negative charged surface: 295.576	Volume: 381.125
Hydrophobic surface: 611.954	Hydrophilic surface: 78.996

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.