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MMsINC code: MMs00061471

Type: Neutral
Formula: C₁₆H₁₁NO₃

SMILES:

Oc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(O)=O

InChI:

InChI=1/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8844 kcal/mol

Physical Properties
Molecular Weight: 265.268 g/mol	logS: -3.97605	SlogP: 3.3056	Reactive groups: 0

Topological Properties
Globularity: 0.00196961	Sterimol/B1: 2.097	Sterimol/B2: 2.23649	Sterimol/B3: 3.66961
Sterimol/B4: 7.03136	Sterimol/L: 14.7575

Surface and Volume Properties
Accessible surface: 475.962	Positive charged surface: 250.038	Negative charged surface: 214.852	Volume: 245.5
Hydrophobic surface: 316.52	Hydrophilic surface: 159.442

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00061472
ASINEX-ZINC00035894