MMsINC Database Search


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MMsINC code: MMs01286238

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O(C)c1ccc(cc1)-c1nc2c(n1Cc1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C25H20N2O/c1-28-21-15-13-19(14-16-21)25-26-23-11-4-5-12-24(23)27(25)17-20-9-6-8-18-7-2-3-10-22(18)20/h2-16H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.202 kcal/mol

Physical Properties
Molecular Weight: 364.448 g/mol	logS: -8.08041	SlogP: 6.1798	Reactive groups: 0

Topological Properties
Globularity: 0.116968	Sterimol/B1: 2.65681	Sterimol/B2: 4.6469	Sterimol/B3: 5.19555
Sterimol/B4: 7.15148	Sterimol/L: 15.4761

Surface and Volume Properties
Accessible surface: 606.403	Positive charged surface: 357.481	Negative charged surface: 240.181	Volume: 365.75
Hydrophobic surface: 564.501	Hydrophilic surface: 41.902

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.