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MMsINC code: MMs00993680

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

O(C(=O)C(NC(=O)C(N)C(CC)C)Cc1ccccc1)C

InChI:

InChI=1/C16H24N2O3/c1-4-11(2)14(17)15(19)18-13(16(20)21-3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,17H2,1-3H3,(H,18,19)/t11-,13-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6479 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -2.93798	SlogP: 1.26027	Reactive groups: 0

Topological Properties
Globularity: 0.125312	Sterimol/B1: 2.81047	Sterimol/B2: 4.09356	Sterimol/B3: 5.04353
Sterimol/B4: 6.57944	Sterimol/L: 14.938

Surface and Volume Properties
Accessible surface: 544.533	Positive charged surface: 377.867	Negative charged surface: 166.667	Volume: 299.375
Hydrophobic surface: 407.346	Hydrophilic surface: 137.187

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs00993681
CHEMDIV-ZINC05165089