MMsINC Database Search


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MMsINC code: MMs00111492

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(Nc1ccc(cc1)Cc1ccncc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H18N2O/c26-23(22-7-3-5-19-4-1-2-6-21(19)22)25-20-10-8-17(9-11-20)16-18-12-14-24-15-13-18/h1-15H,16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.228 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.09099	SlogP: 5.07787	Reactive groups: 0

Topological Properties
Globularity: 0.0465962	Sterimol/B1: 2.97294	Sterimol/B2: 3.75282	Sterimol/B3: 4.2132
Sterimol/B4: 6.95034	Sterimol/L: 18.0384

Surface and Volume Properties
Accessible surface: 606.358	Positive charged surface: 365.057	Negative charged surface: 230.943	Volume: 339.125
Hydrophobic surface: 560.483	Hydrophilic surface: 45.875

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.