MMsINC Database Search


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MMsINC code: MMs02322303

Type: Ionized
Formula: C₁₉H₁₃O₃-

SMILES:

O=C(c1cccc(C)c1C(=O)[O-])c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14O3/c1-12-6-4-11-16(17(12)19(21)22)18(20)15-10-5-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6461 kcal/mol

Physical Properties
Molecular Weight: 289.31 g/mol	logS: -6.03934	SlogP: 2.74272	Reactive groups: 0

Topological Properties
Globularity: 0.171698	Sterimol/B1: 4.25354	Sterimol/B2: 4.51581	Sterimol/B3: 4.97982
Sterimol/B4: 5.39835	Sterimol/L: 13.2863

Surface and Volume Properties
Accessible surface: 497.374	Positive charged surface: 234.194	Negative charged surface: 255.157	Volume: 279.5
Hydrophobic surface: 409.949	Hydrophilic surface: 87.425

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

MMs02322302
NCID-ZINC01689902