MMsINC Database Search


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MMsINC code: MMs02011174

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

O(CCN(C(=O)C(=O)c1c2c(n(C)c1C)cccc2)CCOC)C

InChI:

InChI=1/C18H24N2O4/c1-13-16(14-7-5-6-8-15(14)19(13)2)17(21)18(22)20(9-11-23-3)10-12-24-4/h5-8H,9-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3923 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -2.53895	SlogP: 2.15002	Reactive groups: 0

Topological Properties
Globularity: 0.107282	Sterimol/B1: 1.969	Sterimol/B2: 4.11473	Sterimol/B3: 4.27067
Sterimol/B4: 9.46142	Sterimol/L: 14.6791

Surface and Volume Properties
Accessible surface: 570.543	Positive charged surface: 439.633	Negative charged surface: 127.092	Volume: 332.875
Hydrophobic surface: 514.844	Hydrophilic surface: 55.699

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.