MMsINC Database Search


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MMsINC code: MMs02819107

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O1c2c(OC1)cc1c(c3c(nc1)c1cc(OC)c(OC)cc1cc3)c2

InChI:

InChI=1/C20H15NO4/c1-22-16-5-11-3-4-13-14-7-19-18(24-10-25-19)6-12(14)9-21-20(13)15(11)8-17(16)23-2/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.471 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -5.78504	SlogP: 4.2871	Reactive groups: 0

Topological Properties
Globularity: 0.00772078	Sterimol/B1: 2.38604	Sterimol/B2: 2.51826	Sterimol/B3: 2.76392
Sterimol/B4: 7.54026	Sterimol/L: 17.636

Surface and Volume Properties
Accessible surface: 562.694	Positive charged surface: 392.667	Negative charged surface: 140.451	Volume: 306.375
Hydrophobic surface: 475.624	Hydrophilic surface: 87.07

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.