MMsINC Database Search


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MMsINC code: MMs01385419

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O1CCOc2c1cc(NC(C(=O)N(Cc1ccccc1)CC)C)cc2

InChI:

InChI=1/C20H24N2O3/c1-3-22(14-16-7-5-4-6-8-16)20(23)15(2)21-17-9-10-18-19(13-17)25-12-11-24-18/h4-10,13,15,21H,3,11-12,14H2,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.639 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.91984	SlogP: 3.5733	Reactive groups: 0

Topological Properties
Globularity: 0.0806303	Sterimol/B1: 2.14877	Sterimol/B2: 3.56746	Sterimol/B3: 4.06767
Sterimol/B4: 8.91827	Sterimol/L: 16.7169

Surface and Volume Properties
Accessible surface: 609.81	Positive charged surface: 407.849	Negative charged surface: 201.961	Volume: 339.375
Hydrophobic surface: 515.47	Hydrophilic surface: 94.34

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.