MMsINC Database Search


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MMsINC code: MMs00071551

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1c2c(C(=CC1=O)c1ccccc1)c(OC)cc(OC)c2

InChI:

InChI=1/C17H14O4/c1-19-12-8-14(20-2)17-13(11-6-4-3-5-7-11)10-16(18)21-15(17)9-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.663 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -4.64925	SlogP: 2.87179	Reactive groups: 0

Topological Properties
Globularity: 0.0656723	Sterimol/B1: 3.20677	Sterimol/B2: 3.54798	Sterimol/B3: 4.21893
Sterimol/B4: 6.97151	Sterimol/L: 14.5786

Surface and Volume Properties
Accessible surface: 492.015	Positive charged surface: 329.976	Negative charged surface: 162.039	Volume: 265.75
Hydrophobic surface: 416.408	Hydrophilic surface: 75.607

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.