MMsINC Database Search


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MMsINC code: MMs03801798

Type: Ionized
Formula: C₁₄H₁₀NO₄-

SMILES:

Oc1ccccc1C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H11NO4/c16-12-8-4-2-6-10(12)13(17)15-11-7-3-1-5-9(11)14(18)19/h1-8,16H,(H,15,17)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.3109 kcal/mol

Physical Properties
Molecular Weight: 256.237 g/mol	logS: -3.22277	SlogP: 1.008	Reactive groups: 0

Topological Properties
Globularity: 0.00367769	Sterimol/B1: 2.30542	Sterimol/B2: 2.313	Sterimol/B3: 3.80065
Sterimol/B4: 5.65952	Sterimol/L: 14.3544

Surface and Volume Properties
Accessible surface: 445.269	Positive charged surface: 216.13	Negative charged surface: 229.14	Volume: 229.25
Hydrophobic surface: 312.193	Hydrophilic surface: 133.076

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

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Parent related molecule:

MMs03801797
PUBCHEM-ZINC06567831