MMsINC Database Search


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MMsINC code: MMs03785220

Type: Neutral
Formula: C₁₄H₁₆N₂O₃

SMILES:

OC1C2N(CC1)C(=O)C(NC2=O)Cc1ccccc1

InChI:

InChI=1/C14H16N2O3/c17-11-6-7-16-12(11)13(18)15-10(14(16)19)8-9-4-2-1-3-5-9/h1-5,10-12,17H,6-8H2,(H,15,18)/t10-,11-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5282 kcal/mol

Physical Properties
Molecular Weight: 260.293 g/mol	logS: -1.95597	SlogP: -0.31073	Reactive groups: 0

Topological Properties
Globularity: 0.0672072	Sterimol/B1: 2.83112	Sterimol/B2: 3.50654	Sterimol/B3: 3.67415
Sterimol/B4: 5.08652	Sterimol/L: 14.2261

Surface and Volume Properties
Accessible surface: 471.155	Positive charged surface: 299.728	Negative charged surface: 171.427	Volume: 242
Hydrophobic surface: 341.78	Hydrophilic surface: 129.375

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: no related molecules available.