MMsINC Database Search


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MMsINC code: MMs02879000

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

O(CCOC(=O)Nc1cc(N(CC)CC)ccc1)CC

InChI:

InChI=1/C15H24N2O3/c1-4-17(5-2)14-9-7-8-13(12-14)16-15(18)20-11-10-19-6-3/h7-9,12H,4-6,10-11H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2793 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -2.71547	SlogP: 3.1178	Reactive groups: 0

Topological Properties
Globularity: 0.0475367	Sterimol/B1: 2.64802	Sterimol/B2: 3.63126	Sterimol/B3: 4.29045
Sterimol/B4: 6.26756	Sterimol/L: 18.1743

Surface and Volume Properties
Accessible surface: 588.294	Positive charged surface: 441.861	Negative charged surface: 146.434	Volume: 292.5
Hydrophobic surface: 442.131	Hydrophilic surface: 146.163

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.