MMsINC Database Search


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MMsINC code: MMs01682691

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

o1c2c(nc1\C=C\C(=O)Nc1ccccc1Cc1ccccc1)cccc2

InChI:

InChI=1/C23H18N2O2/c26-22(14-15-23-25-20-12-6-7-13-21(20)27-23)24-19-11-5-4-10-18(19)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,24,26)/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2051 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.12545	SlogP: 5.07047	Reactive groups: 0

Topological Properties
Globularity: 0.0558498	Sterimol/B1: 2.21901	Sterimol/B2: 2.27273	Sterimol/B3: 5.02165
Sterimol/B4: 9.31837	Sterimol/L: 17.9296

Surface and Volume Properties
Accessible surface: 632.555	Positive charged surface: 341.647	Negative charged surface: 290.908	Volume: 351
Hydrophobic surface: 560.136	Hydrophilic surface: 72.419

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.