MMsINC Database Search


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MMsINC code: MMs02839836

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(CCCC1(CC)C(=O)NC(=O)NC1=O)c1ccccc1

InChI:

InChI=1/C15H18N2O4/c1-2-15(12(18)16-14(20)17-13(15)19)9-6-10-21-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,16,17,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.90732 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -3.24952	SlogP: 1.608	Reactive groups: 0

Topological Properties
Globularity: 0.0592457	Sterimol/B1: 2.73888	Sterimol/B2: 4.04687	Sterimol/B3: 4.18378
Sterimol/B4: 6.26258	Sterimol/L: 15.9101

Surface and Volume Properties
Accessible surface: 516.043	Positive charged surface: 300.924	Negative charged surface: 215.119	Volume: 270.125
Hydrophobic surface: 334.874	Hydrophilic surface: 181.169

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.