MMsINC Database Search


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MMsINC code: MMs01650221

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O=C1NC(=O)c2c1c(NC(=O)C1CCCCC1)ccc2

InChI:

InChI=1/C15H16N2O3/c18-13(9-5-2-1-3-6-9)16-11-8-4-7-10-12(11)15(20)17-14(10)19/h4,7-9H,1-3,5-6H2,(H,16,18)(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0779 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -4.09733	SlogP: 2.089	Reactive groups: 0

Topological Properties
Globularity: 0.0561826	Sterimol/B1: 2.54036	Sterimol/B2: 2.93816	Sterimol/B3: 3.85519
Sterimol/B4: 6.73921	Sterimol/L: 15.3128

Surface and Volume Properties
Accessible surface: 482.46	Positive charged surface: 315.914	Negative charged surface: 166.546	Volume: 253.5
Hydrophobic surface: 329.426	Hydrophilic surface: 153.034

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.