MMsINC Database Search


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MMsINC code: MMs01471710

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(C(=O)NCc2ccccc2)C)cc1

InChI:

InChI=1/C23H24N2O2/c1-18(23(26)24-16-19-8-4-2-5-9-19)25-21-12-14-22(15-13-21)27-17-20-10-6-3-7-11-20/h2-15,18,25H,16-17H2,1H3,(H,24,26)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.441 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.2673	SlogP: 4.9152	Reactive groups: 0

Topological Properties
Globularity: 0.0387927	Sterimol/B1: 1.969	Sterimol/B2: 3.96874	Sterimol/B3: 5.1432
Sterimol/B4: 5.79589	Sterimol/L: 22.3106

Surface and Volume Properties
Accessible surface: 693.01	Positive charged surface: 409.18	Negative charged surface: 283.83	Volume: 372.875
Hydrophobic surface: 606.489	Hydrophilic surface: 86.521

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.