MMsINC Database Search


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MMsINC code: MMs00232539

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CN(C(=O)c1ccc(cc1)C)Cc1cccnc1

InChI:

InChI=1/C23H24N2O3/c1-17-6-9-20(10-7-17)23(26)25(16-19-5-4-12-24-14-19)15-18-8-11-21(27-2)22(13-18)28-3/h4-14H,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.94 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.27736	SlogP: 4.78262	Reactive groups: 0

Topological Properties
Globularity: 0.169024	Sterimol/B1: 3.13507	Sterimol/B2: 3.38141	Sterimol/B3: 5.84916
Sterimol/B4: 10.4101	Sterimol/L: 16.0063

Surface and Volume Properties
Accessible surface: 648.624	Positive charged surface: 452.687	Negative charged surface: 195.937	Volume: 377.375
Hydrophobic surface: 578.711	Hydrophilic surface: 69.913

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.