MMsINC Database Search


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MMsINC code: MMs01703981

Type: Neutral
Formula: C₁₆H₁₈N₂O₃

SMILES:

O(C(C(=O)N(C)C)c1ccccc1)C(=O)c1n(ccc1)C

InChI:

InChI=1/C16H18N2O3/c1-17(2)15(19)14(12-8-5-4-6-9-12)21-16(20)13-10-7-11-18(13)3/h4-11,14H,1-3H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3729 kcal/mol

Physical Properties
Molecular Weight: 286.331 g/mol	logS: -2.09124	SlogP: 2.4661	Reactive groups: 0

Topological Properties
Globularity: 0.152373	Sterimol/B1: 2.97496	Sterimol/B2: 4.20024	Sterimol/B3: 4.53374
Sterimol/B4: 6.50443	Sterimol/L: 13.2259

Surface and Volume Properties
Accessible surface: 529.278	Positive charged surface: 344.154	Negative charged surface: 185.124	Volume: 283
Hydrophobic surface: 450.388	Hydrophilic surface: 78.89

Pharmacophoric Properties
Hydrogen bond donors: 0	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.