MMsINC Database Search


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MMsINC code: MMs02938560

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

OC(=O)C(=O)Nc1ccccc1-c1ccccc1N

InChI:

InChI=1/C14H12N2O3/c15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13(17)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5315 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.73007	SlogP: 1.9589	Reactive groups: 0

Topological Properties
Globularity: 0.168044	Sterimol/B1: 2.25668	Sterimol/B2: 4.95823	Sterimol/B3: 5.07059
Sterimol/B4: 6.35585	Sterimol/L: 11.568

Surface and Volume Properties
Accessible surface: 455.577	Positive charged surface: 252.107	Negative charged surface: 201.81	Volume: 234.375
Hydrophobic surface: 284.904	Hydrophilic surface: 170.673

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02938561
PUBCHEM-ZINC02851443