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MMsINC code: MMs03151491

Type: Neutral
Formula: C₁₁H₁₃NO₃

SMILES:

OC(=O)CNC(=O)CCc1ccccc1

InChI:

InChI=1/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.2203 kcal/mol

Physical Properties
Molecular Weight: 207.229 g/mol	logS: -1.47024	SlogP: 0.81997	Reactive groups: 0

Topological Properties
Globularity: 0.0632064	Sterimol/B1: 2.90074	Sterimol/B2: 3.61737	Sterimol/B3: 3.61968
Sterimol/B4: 4.22772	Sterimol/L: 15.5073

Surface and Volume Properties
Accessible surface: 436.862	Positive charged surface: 267.782	Negative charged surface: 169.08	Volume: 203.5
Hydrophobic surface: 283.349	Hydrophilic surface: 153.513

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03151492
PUBCHEM-ZINC04672223