MMsINC Database Search


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MMsINC code: MMs02150689

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(c1ccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)cc1)c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-23(2,3)17-9-11-18(12-10-17)24-22(26)25-19-13-15-21(16-14-19)27-20-7-5-4-6-8-20/h4-16H,1-3H3,(H2,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.863 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -7.05434	SlogP: 6.4204	Reactive groups: 0

Topological Properties
Globularity: 0.0342344	Sterimol/B1: 2.40612	Sterimol/B2: 3.24224	Sterimol/B3: 4.75056
Sterimol/B4: 7.02372	Sterimol/L: 19.8115

Surface and Volume Properties
Accessible surface: 663.401	Positive charged surface: 403.933	Negative charged surface: 259.469	Volume: 365.75
Hydrophobic surface: 553.644	Hydrophilic surface: 109.757

Pharmacophoric Properties
Hydrogen bond donors: 2	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.