MMsINC Database Search


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MMsINC code: MMs00629960

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C16H14O4/c1-11(17)12-3-9-15(10-4-12)20-16(18)13-5-7-14(19-2)8-6-13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2997 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.86159	SlogP: 3.117	Reactive groups: 0

Topological Properties
Globularity: 0.0367281	Sterimol/B1: 2.53277	Sterimol/B2: 2.7222	Sterimol/B3: 3.78095
Sterimol/B4: 4.38658	Sterimol/L: 18.4546

Surface and Volume Properties
Accessible surface: 515.245	Positive charged surface: 310.111	Negative charged surface: 205.135	Volume: 259.5
Hydrophobic surface: 432.408	Hydrophilic surface: 82.837

Pharmacophoric Properties
Hydrogen bond donors: 0	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.