MMsINC Database Search


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MMsINC code: MMs02911716

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O(C)c1ccc(cc1)-c1nc2c(n1Cc1cc3c(cc1)cccc3)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.682 kcal/mol

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

Topological Properties
Globularity: 0.145149	Sterimol/B1: 2.29388	Sterimol/B2: 3.13185	Sterimol/B3: 4.83813
Sterimol/B4: 10.1289	Sterimol/L: 15.6909

Surface and Volume Properties
Accessible surface: 609.293	Positive charged surface: 359.361	Negative charged surface: 240.508	Volume: 367.125
Hydrophobic surface: 567.827	Hydrophilic surface: 41.466

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.