MMsINC Database Search


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MMsINC code: MMs02297369

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O1c2c(OC1)cc1c(c3ncc4cc(OC)c(OC)cc4c3cc1)c2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.38 kcal/mol

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

Topological Properties
Globularity: 0.00773842	Sterimol/B1: 2.37171	Sterimol/B2: 2.38778	Sterimol/B3: 2.76937
Sterimol/B4: 7.55573	Sterimol/L: 17.5338

Surface and Volume Properties
Accessible surface: 557.692	Positive charged surface: 390.751	Negative charged surface: 139.063	Volume: 305.75
Hydrophobic surface: 471.653	Hydrophilic surface: 86.039

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.