MMsINC Database Search


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MMsINC code: MMs03127163

Type: Neutral
Formula: C₁₉H₂₉N₃O₄

SMILES:

O(CCN(C(=O)C(C)(C)C)CC(=O)NCC(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C19H29N3O4/c1-14-6-8-15(9-7-14)21-16(23)12-20-17(24)13-22(10-11-26-5)18(25)19(2,3)4/h6-9H,10-13H2,1-5H3,(H,20,24)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.586 kcal/mol

Physical Properties
Molecular Weight: 363.458 g/mol	logS: -3.05535	SlogP: 1.57082	Reactive groups: 0

Topological Properties
Globularity: 0.0577081	Sterimol/B1: 2.80872	Sterimol/B2: 4.08513	Sterimol/B3: 4.9539
Sterimol/B4: 6.06618	Sterimol/L: 20.0612

Surface and Volume Properties
Accessible surface: 672.085	Positive charged surface: 482.523	Negative charged surface: 189.562	Volume: 365
Hydrophobic surface: 523.222	Hydrophilic surface: 148.863

Pharmacophoric Properties
Hydrogen bond donors: 2	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.