MMsINC Database Search


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MMsINC code: MMs00480609

Type: Neutral
Formula: C₁₄H₁₀N₂O₃

SMILES:

Oc1ccccc1-c1[nH]c2cc(ccc2n1)C(O)=O

InChI:

InChI=1/C14H10N2O3/c17-12-4-2-1-3-9(12)13-15-10-6-5-8(14(18)19)7-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2157 kcal/mol

Physical Properties
Molecular Weight: 254.245 g/mol	logS: -4.09769	SlogP: 2.6337	Reactive groups: 0

Topological Properties
Globularity: 0.00163647	Sterimol/B1: 2.11942	Sterimol/B2: 2.18154	Sterimol/B3: 2.45985
Sterimol/B4: 5.76704	Sterimol/L: 15.9403

Surface and Volume Properties
Accessible surface: 462.171	Positive charged surface: 261.068	Negative charged surface: 201.103	Volume: 227.625
Hydrophobic surface: 294.737	Hydrophilic surface: 167.434

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs00480610
AURORAFEINCHEMIE-ZINC06740836