MMsINC Database Search


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MMsINC code: MMs01482576

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(CCC1)C(=O)COC(=O)c1c2CCCCc2nc2c1cccc2

InChI:

InChI=1/C20H20N2O4/c23-17-10-5-11-22(17)18(24)12-26-20(25)19-13-6-1-3-8-15(13)21-16-9-4-2-7-14(16)19/h1,3,6,8H,2,4-5,7,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2218 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.13038	SlogP: 2.41934	Reactive groups: 0

Topological Properties
Globularity: 0.0595193	Sterimol/B1: 2.45439	Sterimol/B2: 3.66482	Sterimol/B3: 3.84377
Sterimol/B4: 9.68801	Sterimol/L: 15.8465

Surface and Volume Properties
Accessible surface: 607.51	Positive charged surface: 390.015	Negative charged surface: 211.96	Volume: 328.875
Hydrophobic surface: 490.629	Hydrophilic surface: 116.881

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.