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MMsINC code: MMs00482064

Type: Neutral
Formula: C₁₁H₁₃NO₃

SMILES:

OC(=O)C(NC(=O)C)Cc1ccccc1

InChI:

InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8121 kcal/mol

Physical Properties
Molecular Weight: 207.229 g/mol	logS: -1.59568	SlogP: 0.81837	Reactive groups: 0

Topological Properties
Globularity: 0.157676	Sterimol/B1: 1.99055	Sterimol/B2: 3.18848	Sterimol/B3: 3.70385
Sterimol/B4: 7.57465	Sterimol/L: 11.1639

Surface and Volume Properties
Accessible surface: 417.403	Positive charged surface: 238.106	Negative charged surface: 179.296	Volume: 201.25
Hydrophobic surface: 291.901	Hydrophilic surface: 125.502

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

MMs00482065
BACHEM-ZINC00135392