MMsINC Database Search


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MMsINC code: MMs02169637

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

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

InChI:

InChI=1/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2466 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.92949	SlogP: 1.60767	Reactive groups: 0

Topological Properties
Globularity: 0.132393	Sterimol/B1: 2.23691	Sterimol/B2: 4.23836	Sterimol/B3: 4.89453
Sterimol/B4: 7.36564	Sterimol/L: 12.4954

Surface and Volume Properties
Accessible surface: 519.879	Positive charged surface: 324.803	Negative charged surface: 195.076	Volume: 264
Hydrophobic surface: 343.022	Hydrophilic surface: 176.857

Pharmacophoric Properties
Hydrogen bond donors: 2	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.