MMsINC Database Search


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MMsINC code: MMs02752203

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(Nc1ccccc1CC)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C24H20N2O/c1-2-17-10-6-8-14-21(17)26-24(27)20-16-23(18-11-4-3-5-12-18)25-22-15-9-7-13-19(20)22/h3-16H,2H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.064 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -7.01428	SlogP: 5.71647	Reactive groups: 0

Topological Properties
Globularity: 0.0186926	Sterimol/B1: 2.45179	Sterimol/B2: 3.20395	Sterimol/B3: 3.39303
Sterimol/B4: 10.2797	Sterimol/L: 16.2846

Surface and Volume Properties
Accessible surface: 620.714	Positive charged surface: 335.454	Negative charged surface: 273.202	Volume: 354.5
Hydrophobic surface: 562.612	Hydrophilic surface: 58.102

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.