MMsINC Database Search


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MMsINC code: MMs03294089

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc2c(cccc2)c1\C=N\NC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-28-23-14-13-18-8-3-5-12-21(18)22(23)16-25-26-24(27)15-19-10-6-9-17-7-2-4-11-20(17)19/h2-14,16H,15H2,1H3,(H,26,27)/b25-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.751 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.40576	SlogP: 4.69437	Reactive groups: 0

Topological Properties
Globularity: 0.0805279	Sterimol/B1: 1.969	Sterimol/B2: 4.2965	Sterimol/B3: 5.58763
Sterimol/B4: 8.15865	Sterimol/L: 18.5041

Surface and Volume Properties
Accessible surface: 652.504	Positive charged surface: 396.695	Negative charged surface: 236.62	Volume: 365
Hydrophobic surface: 587.374	Hydrophilic surface: 65.13

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.