MMsINC Database Search


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MMsINC code: MMs03193971

Type: Neutral
Formula: C₁₅H₂₂N₂O₃

SMILES:

O(CCNC(=O)C(=O)NCc1ccc(cc1)C(C)C)C

InChI:

InChI=1/C15H22N2O3/c1-11(2)13-6-4-12(5-7-13)10-17-15(19)14(18)16-8-9-20-3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7512 kcal/mol

Physical Properties
Molecular Weight: 278.352 g/mol	logS: -3.35058	SlogP: 1.4552	Reactive groups: 0

Topological Properties
Globularity: 0.0345947	Sterimol/B1: 3.32253	Sterimol/B2: 3.41629	Sterimol/B3: 4.12838
Sterimol/B4: 4.24867	Sterimol/L: 19.6526

Surface and Volume Properties
Accessible surface: 583.132	Positive charged surface: 426.394	Negative charged surface: 156.738	Volume: 285.625
Hydrophobic surface: 428	Hydrophilic surface: 155.132

Pharmacophoric Properties
Hydrogen bond donors: 2	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.