MMsINC Database Search


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MMsINC code: MMs01482537

Type: Neutral
Formula: C₁₈H₁₄O₅

SMILES:

O1c2c(ccc(c2)C)C(=CC1=O)COC(=O)c1ccc(O)cc1

InChI:

InChI=1/C18H14O5/c1-11-2-7-15-13(9-17(20)23-16(15)8-11)10-22-18(21)12-3-5-14(19)6-4-12/h2-9,19H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7982 kcal/mol

Physical Properties
Molecular Weight: 310.305 g/mol	logS: -5.06863	SlogP: 2.86002	Reactive groups: 0

Topological Properties
Globularity: 0.00508259	Sterimol/B1: 2.32055	Sterimol/B2: 2.50803	Sterimol/B3: 3.53007
Sterimol/B4: 6.19273	Sterimol/L: 18.0836

Surface and Volume Properties
Accessible surface: 551.466	Positive charged surface: 293.885	Negative charged surface: 257.581	Volume: 286
Hydrophobic surface: 392.761	Hydrophilic surface: 158.705

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.