MMsINC Database Search


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MMsINC code: MMs02891291

Type: Ionized
Formula: C₁₅H₁₀NO₂-

SMILES:

O=C([O-])c1ccccc1-c1cc2c([nH]cc2)cc1

InChI:

InChI=1/C15H11NO2/c17-15(18)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-16-14/h1-9,16H,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0381 kcal/mol

Physical Properties
Molecular Weight: 236.25 g/mol	logS: -4.33101	SlogP: 2.1984	Reactive groups: 0

Topological Properties
Globularity: 0.0878436	Sterimol/B1: 2.39443	Sterimol/B2: 2.4546	Sterimol/B3: 4.77344
Sterimol/B4: 6.47318	Sterimol/L: 13.8724

Surface and Volume Properties
Accessible surface: 447.158	Positive charged surface: 210.17	Negative charged surface: 229.79	Volume: 226.25
Hydrophobic surface: 317.139	Hydrophilic surface: 130.019

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs02891290
PUBCHEM-ZINC02513026