MMsINC Database Search


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MMsINC code: MMs01499945

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O=C1N(C2CCCC2)C(=O)N(CC(=O)NCCCc2ccccc2)C1=O

InChI:

InChI=1/C19H23N3O4/c23-16(20-12-6-9-14-7-2-1-3-8-14)13-21-17(24)18(25)22(19(21)26)15-10-4-5-11-15/h1-3,7-8,15H,4-6,9-13H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.91 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.47544	SlogP: 1.46877	Reactive groups: 0

Topological Properties
Globularity: 0.0359316	Sterimol/B1: 3.27854	Sterimol/B2: 3.62594	Sterimol/B3: 4.03389
Sterimol/B4: 4.82545	Sterimol/L: 21.0877

Surface and Volume Properties
Accessible surface: 645.947	Positive charged surface: 410.834	Negative charged surface: 235.113	Volume: 338.875
Hydrophobic surface: 491.533	Hydrophilic surface: 154.414

Pharmacophoric Properties
Hydrogen bond donors: 1	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.