MMsINC Database Search


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MMsINC code: MMs02150577

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(c1ccc(cc1)C(C)(C)C)c1ncc(NC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C23H24N2O2/c1-16-5-7-17(8-6-16)22(26)25-19-11-14-21(24-15-19)27-20-12-9-18(10-13-20)23(2,3)4/h5-15H,1-4H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.212 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -6.6842	SlogP: 5.73212	Reactive groups: 0

Topological Properties
Globularity: 0.0319629	Sterimol/B1: 2.83999	Sterimol/B2: 3.4869	Sterimol/B3: 3.75483
Sterimol/B4: 7.21212	Sterimol/L: 20.97

Surface and Volume Properties
Accessible surface: 668.383	Positive charged surface: 417.43	Negative charged surface: 250.953	Volume: 367.25
Hydrophobic surface: 572.343	Hydrophilic surface: 96.04

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.