MMsINC Database Search


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MMsINC code: MMs00066461

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cccc2)C(=O)C(O)=C1c1ccc(O)cc1

InChI:

InChI=1/C15H10O4/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,16,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.761 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.86062	SlogP: 2.8941	Reactive groups: 1

Topological Properties
Globularity: 0.0392358	Sterimol/B1: 2.72607	Sterimol/B2: 3.0123	Sterimol/B3: 3.87051
Sterimol/B4: 4.99255	Sterimol/L: 14.8029

Surface and Volume Properties
Accessible surface: 456.713	Positive charged surface: 257.146	Negative charged surface: 199.567	Volume: 231
Hydrophobic surface: 328.697	Hydrophilic surface: 128.016

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.