MMsINC Database Search


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MMsINC code: MMs02356440

Type: Ionized
Formula: C₂₀H₁₅O₃-

SMILES:

OC(C(=O)[O-])(c1ccc(cc1)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16O3/c21-19(22)20(23,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,23H,(H,21,22)/p-1/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.439 kcal/mol

Physical Properties
Molecular Weight: 303.337 g/mol	logS: -5.60647	SlogP: 2.6509	Reactive groups: 0

Topological Properties
Globularity: 0.0854873	Sterimol/B1: 3.53829	Sterimol/B2: 3.68964	Sterimol/B3: 3.87755
Sterimol/B4: 6.06972	Sterimol/L: 15.8643

Surface and Volume Properties
Accessible surface: 539.099	Positive charged surface: 270.013	Negative charged surface: 264.833	Volume: 299.5
Hydrophobic surface: 448.637	Hydrophilic surface: 90.462

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs02356439
NCID-ZINC01734030