MMsINC Database Search


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MMsINC code: MMs01956685

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1CCc1ccccc1

InChI:

InChI=1/C24H20N2O2/c27-22-13-7-4-10-19(22)14-15-23-25-21-12-6-5-11-20(21)24(28)26(23)17-16-18-8-2-1-3-9-18/h1-15,27H,16-17H2/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8332 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.8266	SlogP: 4.83407	Reactive groups: 0

Topological Properties
Globularity: 0.0219064	Sterimol/B1: 2.73338	Sterimol/B2: 2.83049	Sterimol/B3: 3.24989
Sterimol/B4: 11.9377	Sterimol/L: 15.1656

Surface and Volume Properties
Accessible surface: 642.327	Positive charged surface: 344.82	Negative charged surface: 297.508	Volume: 364.5
Hydrophobic surface: 556.572	Hydrophilic surface: 85.755

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.