MMsINC Database Search


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MMsINC code: MMs02668825

Type: Neutral
Formula: C₁₉H₁₈O₄

SMILES:

O(C(=O)C1CCCC1)c1ccccc1C(Oc1ccccc1)=O

InChI:

InChI=1/C19H18O4/c20-18(14-8-4-5-9-14)23-17-13-7-6-12-16(17)19(21)22-15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1618 kcal/mol

Physical Properties
Molecular Weight: 310.349 g/mol	logS: -5.1844	SlogP: 4.0014	Reactive groups: 0

Topological Properties
Globularity: 0.0913044	Sterimol/B1: 2.47322	Sterimol/B2: 3.34638	Sterimol/B3: 3.58697
Sterimol/B4: 10.0302	Sterimol/L: 14.1652

Surface and Volume Properties
Accessible surface: 566.618	Positive charged surface: 351.912	Negative charged surface: 214.705	Volume: 302.125
Hydrophobic surface: 527.567	Hydrophilic surface: 39.051

Pharmacophoric Properties
Hydrogen bond donors: 0	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.