MMsINC Database Search


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MMsINC code: MMs03262585

Type: Neutral
Formula: C₁₇H₁₈O₃

SMILES:

O(Cc1ccccc1)c1cc(O)c(cc1)C(=O)CCC

InChI:

InChI=1/C17H18O3/c1-2-6-16(18)15-10-9-14(11-17(15)19)20-12-13-7-4-3-5-8-13/h3-5,7-11,19H,2,6,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5525 kcal/mol

Physical Properties
Molecular Weight: 270.328 g/mol	logS: -3.87047	SlogP: 4.2204	Reactive groups: 0

Topological Properties
Globularity: 0.0384925	Sterimol/B1: 2.13515	Sterimol/B2: 3.55586	Sterimol/B3: 3.67728
Sterimol/B4: 6.37886	Sterimol/L: 18.6426

Surface and Volume Properties
Accessible surface: 546.884	Positive charged surface: 340.144	Negative charged surface: 206.74	Volume: 272.375
Hydrophobic surface: 445.553	Hydrophilic surface: 101.331

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.