MMsINC Database Search


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MMsINC code: MMs00594276

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1c2c(ccc(O)c2C)C(=O)C(Oc2ccccc2)=C1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1633 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -4.40521	SlogP: 3.58622	Reactive groups: 1

Topological Properties
Globularity: 0.0951708	Sterimol/B1: 2.98381	Sterimol/B2: 3.49429	Sterimol/B3: 4.18232
Sterimol/B4: 6.25527	Sterimol/L: 15.0922

Surface and Volume Properties
Accessible surface: 506.571	Positive charged surface: 289.342	Negative charged surface: 217.23	Volume: 264
Hydrophobic surface: 429.859	Hydrophilic surface: 76.712

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.