MMsINC Database Search


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MMsINC code: MMs02214385

Type: Ionized
Formula: C₁₉H₁₄NO₂-

SMILES:

O=C([O-])c1ccccc1N(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15NO2/c21-19(22)17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5723 kcal/mol

Physical Properties
Molecular Weight: 288.326 g/mol	logS: -5.18986	SlogP: 3.5199	Reactive groups: 0

Topological Properties
Globularity: 0.241655	Sterimol/B1: 2.53092	Sterimol/B2: 3.40116	Sterimol/B3: 4.8181
Sterimol/B4: 9.33817	Sterimol/L: 11.9557

Surface and Volume Properties
Accessible surface: 509.411	Positive charged surface: 265.21	Negative charged surface: 244.201	Volume: 287.625
Hydrophobic surface: 446.65	Hydrophilic surface: 62.761

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs02214384
NCID-ZINC00345709