MMsINC Database Search


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MMsINC code: MMs02255015

Type: Ionized
Formula: C₁₉H₁₅O₃-

SMILES:

O(C)c1ccc(cc1)Cc1c2c(ccc1C(=O)[O-])cccc2

InChI:

InChI=1/C19H16O3/c1-22-15-9-6-13(7-10-15)12-18-16-5-3-2-4-14(16)8-11-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3469 kcal/mol

Physical Properties
Molecular Weight: 291.326 g/mol	logS: -5.65937	SlogP: 2.80267	Reactive groups: 0

Topological Properties
Globularity: 0.142513	Sterimol/B1: 2.54266	Sterimol/B2: 3.3035	Sterimol/B3: 5.039
Sterimol/B4: 7.09883	Sterimol/L: 14.1209

Surface and Volume Properties
Accessible surface: 518.974	Positive charged surface: 289.819	Negative charged surface: 220.648	Volume: 286.5
Hydrophobic surface: 443.618	Hydrophilic surface: 75.356

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:

MMs02255014
NCID-ZINC01602140