MMsINC Database Search


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MMsINC code: MMs00292116

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1N(CC(=O)N2CCCCCC2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C20H20N2O3/c23-17(21-11-3-1-2-4-12-21)13-22-19(24)15-9-5-7-14-8-6-10-16(18(14)15)20(22)25/h5-10H,1-4,11-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8909 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.83511	SlogP: 2.8384	Reactive groups: 0

Topological Properties
Globularity: 0.0756899	Sterimol/B1: 2.49764	Sterimol/B2: 3.65291	Sterimol/B3: 4.37009
Sterimol/B4: 7.46461	Sterimol/L: 15.5854

Surface and Volume Properties
Accessible surface: 557.769	Positive charged surface: 350.17	Negative charged surface: 196.528	Volume: 318.75
Hydrophobic surface: 475.849	Hydrophilic surface: 81.92

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.