MMsINC Database Search


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MMsINC code: MMs02216756

Type: Neutral
Formula: C₁₈H₁₂O₄

SMILES:

Oc1c2c(ccc1C(=O)c1ccccc1C(O)=O)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7717 kcal/mol

Physical Properties
Molecular Weight: 292.29 g/mol	logS: -4.94302	SlogP: 3.4746	Reactive groups: 0

Topological Properties
Globularity: 0.152626	Sterimol/B1: 3.21048	Sterimol/B2: 4.19141	Sterimol/B3: 5.19471
Sterimol/B4: 5.37392	Sterimol/L: 14.68

Surface and Volume Properties
Accessible surface: 493.031	Positive charged surface: 262.731	Negative charged surface: 219.485	Volume: 268.25
Hydrophobic surface: 362.763	Hydrophilic surface: 130.268

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02216757
NCID-ZINC00406170