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MMsINC code: MMs01605115

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C/1N(Cc2ccccc2)C(=O)c2c(cccc2)\C\1=C\NCc1ccccc1

InChI:

InChI=1/C24H20N2O2/c27-23-21-14-8-7-13-20(21)22(16-25-15-18-9-3-1-4-10-18)24(28)26(23)17-19-11-5-2-6-12-19/h1-14,16,25H,15,17H2/b22-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.496 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.51963	SlogP: 4.5327	Reactive groups: 0

Topological Properties
Globularity: 0.10236	Sterimol/B1: 3.75981	Sterimol/B2: 3.79254	Sterimol/B3: 5.7901
Sterimol/B4: 7.70351	Sterimol/L: 15.0505

Surface and Volume Properties
Accessible surface: 656.67	Positive charged surface: 367.816	Negative charged surface: 288.854	Volume: 363.375
Hydrophobic surface: 600.287	Hydrophilic surface: 56.383

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01605116
ENAMINE-ZINC05264578