MMsINC Database Search


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MMsINC code: MMs01084623

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

Oc1ccccc1NC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H14N2O3/c1-10(18)16-12-8-6-11(7-9-12)15(20)17-13-4-2-3-5-14(13)19/h2-9,19H,1H3,(H,16,18)(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9668 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.20237	SlogP: 2.6029	Reactive groups: 0

Topological Properties
Globularity: 0.0104316	Sterimol/B1: 2.53971	Sterimol/B2: 2.55048	Sterimol/B3: 3.53603
Sterimol/B4: 5.02783	Sterimol/L: 17.2144

Surface and Volume Properties
Accessible surface: 507.346	Positive charged surface: 294.873	Negative charged surface: 212.473	Volume: 253.125
Hydrophobic surface: 376.299	Hydrophilic surface: 131.047

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: no related molecules available.