MMsINC Database Search


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MMsINC code: MMs00095668

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(C)c1ccccc1CC(=O)N1CCC(CC1)C(=O)N

InChI:

InChI=1/C15H20N2O3/c1-20-13-5-3-2-4-12(13)10-14(18)17-8-6-11(7-9-17)15(16)19/h2-5,11H,6-10H2,1H3,(H2,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1951 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.12429	SlogP: 0.96157	Reactive groups: 0

Topological Properties
Globularity: 0.0947044	Sterimol/B1: 2.27823	Sterimol/B2: 3.32054	Sterimol/B3: 4.0233
Sterimol/B4: 7.20908	Sterimol/L: 15.4831

Surface and Volume Properties
Accessible surface: 523.912	Positive charged surface: 382.727	Negative charged surface: 141.185	Volume: 269.75
Hydrophobic surface: 397.274	Hydrophilic surface: 126.638

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.