MMsINC Database Search


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MMsINC code: MMs02282980

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

OC(=O)C(NCc1ccccc1)CC(=O)N

InChI:

InChI=1/C11H14N2O3/c12-10(14)6-9(11(15)16)13-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H2,12,14)(H,15,16)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.183 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -1.2817	SlogP: 0.3712	Reactive groups: 0

Topological Properties
Globularity: 0.0720963	Sterimol/B1: 2.50621	Sterimol/B2: 3.77607	Sterimol/B3: 4.28832
Sterimol/B4: 5.45515	Sterimol/L: 12.3664

Surface and Volume Properties
Accessible surface: 439.815	Positive charged surface: 272.935	Negative charged surface: 166.88	Volume: 211.125
Hydrophobic surface: 245.882	Hydrophilic surface: 193.933

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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: no related molecules available.