MMsINC Database Search


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MMsINC code: MMs02147051

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)C(NC(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14N2O3/c18-14(19)13(11-7-3-1-4-8-11)17-15(20)16-12-9-5-2-6-10-12/h1-10,13H,(H,18,19)(H2,16,17,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8048 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.19193	SlogP: 2.7295	Reactive groups: 0

Topological Properties
Globularity: 0.0820731	Sterimol/B1: 2.47343	Sterimol/B2: 3.24343	Sterimol/B3: 4.85143
Sterimol/B4: 5.16656	Sterimol/L: 16.0101

Surface and Volume Properties
Accessible surface: 509.963	Positive charged surface: 280.403	Negative charged surface: 229.559	Volume: 256.375
Hydrophobic surface: 375.273	Hydrophilic surface: 134.69

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02147052
MAYBRIDGE-ZINC00173208