MMsINC Database Search


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MMsINC code: MMs01976526

Type: Neutral
Formula: C₁₉H₁₈O₄

SMILES:

O1c2c(ccc(O)c2)C(=O)C(Oc2cc(cc(c2)C)C)=C1CC

InChI:

InChI=1/C19H18O4/c1-4-16-19(22-14-8-11(2)7-12(3)9-14)18(21)15-6-5-13(20)10-17(15)23-16/h5-10,20H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.331 kcal/mol

Physical Properties
Molecular Weight: 310.349 g/mol	logS: -5.39435	SlogP: 4.28474	Reactive groups: 1

Topological Properties
Globularity: 0.157305	Sterimol/B1: 2.66669	Sterimol/B2: 3.42447	Sterimol/B3: 5.08903
Sterimol/B4: 6.67899	Sterimol/L: 15.9487

Surface and Volume Properties
Accessible surface: 551.864	Positive charged surface: 333.044	Negative charged surface: 218.82	Volume: 296.75
Hydrophobic surface: 452.3	Hydrophilic surface: 99.564

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.