MMsINC Database Search


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MMsINC code: MMs02114219

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C\C=C\C(OC)=O)c1ccc2c(cccc2)c1C=O

InChI:

InChI=1/C16H14O4/c1-19-16(18)7-4-10-20-15-9-8-12-5-2-3-6-13(12)14(15)11-17/h2-9,11H,10H2,1H3/b7-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1103 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -4.23324	SlogP: 2.7603	Reactive groups: 1

Topological Properties
Globularity: 0.0139584	Sterimol/B1: 2.11355	Sterimol/B2: 3.34942	Sterimol/B3: 4.38391
Sterimol/B4: 4.55879	Sterimol/L: 18.0419

Surface and Volume Properties
Accessible surface: 518.273	Positive charged surface: 317.974	Negative charged surface: 188.316	Volume: 262.5
Hydrophobic surface: 396.901	Hydrophilic surface: 121.372

Pharmacophoric Properties
Hydrogen bond donors: 0	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.