MMsINC Database Search


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MMsINC code: MMs03284834

Type: Ionized
Formula: C₁₅H₁₁N₂O₃-

SMILES:

O(C)c1cc2[nH]c(nc2cc1)-c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H12N2O3/c1-20-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2917 kcal/mol

Physical Properties
Molecular Weight: 267.264 g/mol	logS: -4.77047	SlogP: 1.602	Reactive groups: 0

Topological Properties
Globularity: 0.00723062	Sterimol/B1: 2.28654	Sterimol/B2: 2.71142	Sterimol/B3: 4.60039
Sterimol/B4: 4.61659	Sterimol/L: 16.0769

Surface and Volume Properties
Accessible surface: 483.214	Positive charged surface: 272.325	Negative charged surface: 210.889	Volume: 244.75
Hydrophobic surface: 379.381	Hydrophilic surface: 103.833

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03284833
PUBCHEM-ZINC05489951