MMsINC Database Search


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MMsINC code: MMs02676810

Type: Neutral
Formula: C₁₈H₁₄O₃

SMILES:

O(C(=O)c1ccccc1)c1c2c(cccc2)c(O)cc1C

InChI:

InChI=1/C18H14O3/c1-12-11-16(19)14-9-5-6-10-15(14)17(12)21-18(20)13-7-3-2-4-8-13/h2-11,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3795 kcal/mol

Physical Properties
Molecular Weight: 278.307 g/mol	logS: -5.17534	SlogP: 4.07302	Reactive groups: 0

Topological Properties
Globularity: 0.0757115	Sterimol/B1: 2.35361	Sterimol/B2: 3.46642	Sterimol/B3: 4.09489
Sterimol/B4: 8.38721	Sterimol/L: 14.6992

Surface and Volume Properties
Accessible surface: 507.575	Positive charged surface: 270.638	Negative charged surface: 228.286	Volume: 271.375
Hydrophobic surface: 442.286	Hydrophilic surface: 65.289

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.