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MMsINC code: MMs01123545

Type: Neutral
Formula: C₁₅H₂₂N₂O₃

SMILES:

o1cc(cc1)C(=O)N1CCCCC1C(=O)NCC(C)C

InChI:

InChI=1/C15H22N2O3/c1-11(2)9-16-14(18)13-5-3-4-7-17(13)15(19)12-6-8-20-10-12/h6,8,10-11,13H,3-5,7,9H2,1-2H3,(H,16,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7745 kcal/mol

Physical Properties
Molecular Weight: 278.352 g/mol	logS: -2.68114	SlogP: 2.0465	Reactive groups: 0

Topological Properties
Globularity: 0.0951911	Sterimol/B1: 2.42471	Sterimol/B2: 4.63289	Sterimol/B3: 4.69779
Sterimol/B4: 6.93257	Sterimol/L: 13.2154

Surface and Volume Properties
Accessible surface: 527.302	Positive charged surface: 343.74	Negative charged surface: 183.562	Volume: 276.25
Hydrophobic surface: 427.885	Hydrophilic surface: 99.417

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