MMsINC Database Search


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MMsINC code: MMs00225830

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CN(C(=O)c1cc(ccc1)C)Cc1cccnc1

InChI:

InChI=1/C23H24N2O3/c1-17-6-4-8-20(12-17)23(26)25(16-19-7-5-11-24-14-19)15-18-9-10-21(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)=151.968 kcal/mol

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

Topological Properties
Globularity: 0.177262	Sterimol/B1: 2.10579	Sterimol/B2: 3.43482	Sterimol/B3: 5.45594
Sterimol/B4: 12.0883	Sterimol/L: 14.983

Surface and Volume Properties
Accessible surface: 654.531	Positive charged surface: 457.447	Negative charged surface: 197.084	Volume: 376.625
Hydrophobic surface: 586.443	Hydrophilic surface: 68.088

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.