MMsINC Database Search


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MMsINC code: MMs02668712

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

o1c2cc(OC)ccc2cc1C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C17H14O4/c1-19-13-5-3-4-12(8-13)17(18)16-9-11-6-7-14(20-2)10-15(11)21-16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6633 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -5.1567	SlogP: 3.681	Reactive groups: 0

Topological Properties
Globularity: 0.00594109	Sterimol/B1: 2.32754	Sterimol/B2: 2.45002	Sterimol/B3: 2.5435
Sterimol/B4: 8.16539	Sterimol/L: 15.3609

Surface and Volume Properties
Accessible surface: 518.073	Positive charged surface: 337.844	Negative charged surface: 174.283	Volume: 265.875
Hydrophobic surface: 459.473	Hydrophilic surface: 58.6

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.