MMsINC Database Search


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MMsINC code: MMs01030793

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

OC(=O)c1n(c2c(cccc2)c1CNCc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H22N2O2/c27-24(28)23-21(16-25-15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)26(23)17-19-11-5-2-6-12-19/h1-14,25H,15-17H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7745 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -4.96741	SlogP: 5.4768	Reactive groups: 0

Topological Properties
Globularity: 0.0684211	Sterimol/B1: 2.67332	Sterimol/B2: 4.616	Sterimol/B3: 4.85679
Sterimol/B4: 6.90729	Sterimol/L: 17.9731

Surface and Volume Properties
Accessible surface: 644.987	Positive charged surface: 371.873	Negative charged surface: 268.332	Volume: 373.75
Hydrophobic surface: 547.856	Hydrophilic surface: 97.131

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.