MMsINC Database Search


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MMsINC code: MMs02283604

Type: Neutral
Formula: C₂₀H₂₂N₂O₃

SMILES:

O1CCN(CC1)CCN(C(=O)c1ccccc1)C(=O)c1ccccc1

InChI:

InChI=1/C20H22N2O3/c23-19(17-7-3-1-4-8-17)22(12-11-21-13-15-25-16-14-21)20(24)18-9-5-2-6-10-18/h1-10H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=277.637 kcal/mol

Physical Properties
Molecular Weight: 338.407 g/mol	logS: -3.7696	SlogP: 2.3014	Reactive groups: 0

Topological Properties
Globularity: 0.115035	Sterimol/B1: 2.45446	Sterimol/B2: 4.38416	Sterimol/B3: 5.94299
Sterimol/B4: 6.37618	Sterimol/L: 14.1923

Surface and Volume Properties
Accessible surface: 559.91	Positive charged surface: 352.737	Negative charged surface: 207.173	Volume: 328.25
Hydrophobic surface: 486.231	Hydrophilic surface: 73.679

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.