MMsINC Database Search


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MMsINC code: MMs02759624

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O1c2cc(ccc2OC1)-c1[nH]c(c(n1)-c1ccc(OC)cc1)-c1ccccc1

InChI:

InChI=1/C23H18N2O3/c1-26-18-10-7-16(8-11-18)22-21(15-5-3-2-4-6-15)24-23(25-22)17-9-12-19-20(13-17)28-14-27-19/h2-13H,14H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.809 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -7.4706	SlogP: 5.148	Reactive groups: 0

Topological Properties
Globularity: 0.0310657	Sterimol/B1: 2.53157	Sterimol/B2: 2.66641	Sterimol/B3: 3.84571
Sterimol/B4: 9.24302	Sterimol/L: 18.0712

Surface and Volume Properties
Accessible surface: 634.246	Positive charged surface: 413.352	Negative charged surface: 220.894	Volume: 352.125
Hydrophobic surface: 548.65	Hydrophilic surface: 85.596

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.