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MMsINC code: MMs00486739

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O=C/1N2C(c3c(CC2)cccc3)CN\C\1=C/C(=O)c1ccccc1

InChI:

InChI=1/C20H18N2O2/c23-19(15-7-2-1-3-8-15)12-17-20(24)22-11-10-14-6-4-5-9-16(14)18(22)13-21-17/h1-9,12,18,21H,10-11,13H2/b17-12-/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.086 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.19529	SlogP: 2.57787	Reactive groups: 1

Topological Properties
Globularity: 0.0331912	Sterimol/B1: 2.80494	Sterimol/B2: 3.83051	Sterimol/B3: 4.70832
Sterimol/B4: 4.71496	Sterimol/L: 17.7055

Surface and Volume Properties
Accessible surface: 561.721	Positive charged surface: 337.048	Negative charged surface: 224.674	Volume: 308.5
Hydrophobic surface: 477.226	Hydrophilic surface: 84.495

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00486740
CHEMBLOCK-ZINC00034483