MMsINC Database Search


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MMsINC code: MMs01390926

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

Oc1ccc(cc1)C(OC(C(=O)c1ccccc1)C)=O

InChI:

InChI=1/C16H14O4/c1-11(15(18)12-5-3-2-4-6-12)20-16(19)13-7-9-14(17)10-8-13/h2-11,17H,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6497 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.83112	SlogP: 2.8204	Reactive groups: 0

Topological Properties
Globularity: 0.0489025	Sterimol/B1: 2.26087	Sterimol/B2: 2.66532	Sterimol/B3: 4.78341
Sterimol/B4: 5.07835	Sterimol/L: 16.9643

Surface and Volume Properties
Accessible surface: 514.574	Positive charged surface: 272.376	Negative charged surface: 242.198	Volume: 257.125
Hydrophobic surface: 380.463	Hydrophilic surface: 134.111

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.