MMsINC Database Search


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MMsINC code: MMs02276515

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

OC(=O)C(NC(=O)n1c2c(c3c1cccc3)cccc2)C

InChI:

InChI=1/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2028 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -3.96705	SlogP: 2.8253	Reactive groups: 0

Topological Properties
Globularity: 0.0601028	Sterimol/B1: 3.32615	Sterimol/B2: 4.00412	Sterimol/B3: 4.75382
Sterimol/B4: 7.16216	Sterimol/L: 13.1476

Surface and Volume Properties
Accessible surface: 499.673	Positive charged surface: 253.788	Negative charged surface: 235.45	Volume: 265.625
Hydrophobic surface: 357.016	Hydrophilic surface: 142.657

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02276516
NCID-ZINC01631641