MMsINC Database Search


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MMsINC code: MMs00986210

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(CC(=O)N(Cc1ccccc1)C)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C20H20N2O3/c1-21(13-15-8-4-3-5-9-15)20(24)14-25-18-12-19(23)22(2)17-11-7-6-10-16(17)18/h3-12H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3822 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.03009	SlogP: 2.9455	Reactive groups: 0

Topological Properties
Globularity: 0.0614953	Sterimol/B1: 3.17598	Sterimol/B2: 3.26252	Sterimol/B3: 4.72624
Sterimol/B4: 6.9551	Sterimol/L: 16.3728

Surface and Volume Properties
Accessible surface: 603.545	Positive charged surface: 388.459	Negative charged surface: 215.086	Volume: 328.5
Hydrophobic surface: 523.61	Hydrophilic surface: 79.935

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.