MMsINC Database Search


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MMsINC code: MMs02278331

Type: Ionized
Formula: C₁₈H₁₀O₄-2

SMILES:

O=C([O-])C(=Cc1c2c(cc3c1cccc3)cccc2)C(=O)[O-]

InChI:

InChI=1/C18H12O4/c19-17(20)16(18(21)22)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H,19,20)(H,21,22)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7574 kcal/mol

Physical Properties
Molecular Weight: 290.274 g/mol	logS: -6.14219	SlogP: 0.8762	Reactive groups: 0

Topological Properties
Globularity: 0.102057	Sterimol/B1: 3.26207	Sterimol/B2: 4.09731	Sterimol/B3: 4.31779
Sterimol/B4: 7.91557	Sterimol/L: 12.5029

Surface and Volume Properties
Accessible surface: 479.484	Positive charged surface: 202.088	Negative charged surface: 262.422	Volume: 265.875
Hydrophobic surface: 326.393	Hydrophilic surface: 153.091

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 4	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:

MMs02278330
NCID-ZINC01634266