MMsINC Database Search


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MMsINC code: MMs03014980

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1Cc2c(oc3cc(OC)ccc23)-c2c1cc(OC)cc2

InChI:

InChI=1/C17H14O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3322 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -5.49893	SlogP: 4.2758	Reactive groups: 0

Topological Properties
Globularity: 0.00880173	Sterimol/B1: 2.37389	Sterimol/B2: 2.71202	Sterimol/B3: 3.40367
Sterimol/B4: 5.27894	Sterimol/L: 18.0949

Surface and Volume Properties
Accessible surface: 508.902	Positive charged surface: 364.734	Negative charged surface: 138.633	Volume: 264.875
Hydrophobic surface: 456.438	Hydrophilic surface: 52.464

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.