MMsINC Database Search


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MMsINC code: MMs02277291

Type: Ionized
Formula: C₁₈H₁₃O₂-

SMILES:

O=C([O-])Cc1ccccc1-c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14O2/c19-18(20)12-14-7-2-4-10-16(14)17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1584 kcal/mol

Physical Properties
Molecular Weight: 261.3 g/mol	logS: -5.98046	SlogP: 2.79917	Reactive groups: 0

Topological Properties
Globularity: 0.235731	Sterimol/B1: 3.07246	Sterimol/B2: 3.26007	Sterimol/B3: 4.61346
Sterimol/B4: 6.667	Sterimol/L: 12.4614

Surface and Volume Properties
Accessible surface: 473.753	Positive charged surface: 239.813	Negative charged surface: 227.025	Volume: 261
Hydrophobic surface: 399.22	Hydrophilic surface: 74.533

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

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Parent related molecule:

MMs02277290
NCID-ZINC01632855