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MMsINC code: MMs01451131

Type: Neutral
Formula: C₁₉H₂₅NO₃

SMILES:

O(C(=O)c1cccc(C)c1C)CC(=O)NCCC=1CCCCC=1

InChI:

InChI=1/C19H25NO3/c1-14-7-6-10-17(15(14)2)19(22)23-13-18(21)20-12-11-16-8-4-3-5-9-16/h6-8,10H,3-5,9,11-13H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.289 kcal/mol

Physical Properties
Molecular Weight: 315.413 g/mol	logS: -4.85437	SlogP: 3.46694	Reactive groups: 0

Topological Properties
Globularity: 0.0240144	Sterimol/B1: 3.43993	Sterimol/B2: 3.47731	Sterimol/B3: 3.73506
Sterimol/B4: 5.0361	Sterimol/L: 20.5518

Surface and Volume Properties
Accessible surface: 621.469	Positive charged surface: 433.935	Negative charged surface: 187.534	Volume: 324.25
Hydrophobic surface: 529.347	Hydrophilic surface: 92.122

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.