MMsINC Database Search


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MMsINC code: MMs01444076

Type: Neutral
Formula: C₁₉H₂₅N₃O₄

SMILES:

O=C1N(CC(C)C)C(=O)N(CC(=O)NC(CCc2ccccc2)C)C1=O

InChI:

InChI=1/C19H25N3O4/c1-13(2)11-21-17(24)18(25)22(19(21)26)12-16(23)20-14(3)9-10-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,20,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.5673 kcal/mol

Physical Properties
Molecular Weight: 359.426 g/mol	logS: -3.57748	SlogP: 1.57067	Reactive groups: 0

Topological Properties
Globularity: 0.0492874	Sterimol/B1: 2.13298	Sterimol/B2: 3.77788	Sterimol/B3: 5.49289
Sterimol/B4: 5.84523	Sterimol/L: 20.5997

Surface and Volume Properties
Accessible surface: 655.774	Positive charged surface: 403.762	Negative charged surface: 252.012	Volume: 350.125
Hydrophobic surface: 453.719	Hydrophilic surface: 202.055

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

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.