MMsINC Database Search


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MMsINC code: MMs01721227

Type: Neutral
Formula: C₁₉H₃₀N₂O₃

SMILES:

O(CC)c1ccccc1C(=O)NC(C(C)C)C(=O)NC(CC)(C)C

InChI:

InChI=1/C19H30N2O3/c1-7-19(5,6)21-18(23)16(13(3)4)20-17(22)14-11-9-10-12-15(14)24-8-2/h9-13,16H,7-8H2,1-6H3,(H,20,22)(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.409 kcal/mol

Physical Properties
Molecular Weight: 334.46 g/mol	logS: -3.99532	SlogP: 3.1445	Reactive groups: 0

Topological Properties
Globularity: 0.0902494	Sterimol/B1: 2.76703	Sterimol/B2: 4.95437	Sterimol/B3: 5.25831
Sterimol/B4: 5.464	Sterimol/L: 17.1331

Surface and Volume Properties
Accessible surface: 627.972	Positive charged surface: 422.881	Negative charged surface: 205.091	Volume: 349.25
Hydrophobic surface: 477.886	Hydrophilic surface: 150.086

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.