MMsINC Database Search


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MMsINC code: MMs00710882

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O1c2c(C=CC13N(c1c(-c4c3cccc4)cccc1)C)cccc2OC

InChI:

InChI=1/C23H19NO2/c1-24-20-12-6-4-10-18(20)17-9-3-5-11-19(17)23(24)15-14-16-8-7-13-21(25-2)22(16)26-23/h3-15H,1-2H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.716 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.44035	SlogP: 5.3821	Reactive groups: 0

Topological Properties
Globularity: 0.221041	Sterimol/B1: 2.63067	Sterimol/B2: 3.17249	Sterimol/B3: 7.15167
Sterimol/B4: 7.19867	Sterimol/L: 14.5196

Surface and Volume Properties
Accessible surface: 562.484	Positive charged surface: 363.981	Negative charged surface: 195.158	Volume: 334.375
Hydrophobic surface: 545.102	Hydrophilic surface: 17.382

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.