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MMsINC code: MMs00489524

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCC

InChI:

InChI=1/C15H20N2O3/c1-2-16-14(18)13-9-6-10-17(13)15(19)20-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,18)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6793 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.554	SlogP: 2.1901	Reactive groups: 0

Topological Properties
Globularity: 0.0616904	Sterimol/B1: 2.34016	Sterimol/B2: 3.39969	Sterimol/B3: 3.89667
Sterimol/B4: 7.28429	Sterimol/L: 17.0217

Surface and Volume Properties
Accessible surface: 556.281	Positive charged surface: 386.121	Negative charged surface: 170.159	Volume: 276.75
Hydrophobic surface: 466.615	Hydrophilic surface: 89.666

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.