MMsINC Database Search


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MMsINC code: MMs00617475

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

o1c2c(cc(O)cc2)c(C(=O)c2ccc(OC)cc2)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3982 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -4.90484	SlogP: 3.68642	Reactive groups: 0

Topological Properties
Globularity: 0.178503	Sterimol/B1: 2.21266	Sterimol/B2: 2.97795	Sterimol/B3: 5.03255
Sterimol/B4: 8.50857	Sterimol/L: 14.051

Surface and Volume Properties
Accessible surface: 513.221	Positive charged surface: 306.21	Negative charged surface: 204.678	Volume: 268.125
Hydrophobic surface: 411.334	Hydrophilic surface: 101.887

Pharmacophoric Properties
Hydrogen bond donors: 1	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.