MMsINC Database Search


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MMsINC code: MMs01580949

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)CCN1C(=O)C2C(CCCC2)C1=O

InChI:

InChI=1/C19H24N2O4/c1-25-14-8-6-13(7-9-14)12-20-17(22)10-11-21-18(23)15-4-2-3-5-16(15)19(21)24/h6-9,15-16H,2-5,10-12H2,1H3,(H,20,22)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.6985 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.16182	SlogP: 2.1431	Reactive groups: 0

Topological Properties
Globularity: 0.0536153	Sterimol/B1: 2.18125	Sterimol/B2: 4.07907	Sterimol/B3: 4.25384
Sterimol/B4: 6.73182	Sterimol/L: 19.6199

Surface and Volume Properties
Accessible surface: 632.71	Positive charged surface: 448.049	Negative charged surface: 184.661	Volume: 332.875
Hydrophobic surface: 498.505	Hydrophilic surface: 134.205

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.