MMsINC Database Search


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MMsINC code: MMs00633199

Type: Neutral
Formula: C₁₄H₁₄N₂O₃

SMILES:

o1cccc1CNC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C14H14N2O3/c1-10(17)11-4-2-5-12(8-11)16-14(18)15-9-13-6-3-7-19-13/h2-8H,9H2,1H3,(H2,15,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.809 kcal/mol

Physical Properties
Molecular Weight: 258.277 g/mol	logS: -3.25993	SlogP: 3.0703	Reactive groups: 0

Topological Properties
Globularity: 0.0250418	Sterimol/B1: 2.65383	Sterimol/B2: 2.99477	Sterimol/B3: 3.25381
Sterimol/B4: 6.36856	Sterimol/L: 16.3297

Surface and Volume Properties
Accessible surface: 508.349	Positive charged surface: 282.305	Negative charged surface: 226.044	Volume: 247
Hydrophobic surface: 384.783	Hydrophilic surface: 123.566

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