MMsINC Database Search


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MMsINC code: MMs01189597

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2c(cc1CN(Cc1ccccc1)C(=O)CCc1cccnc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8651 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.24432	SlogP: 5.52217	Reactive groups: 0

Topological Properties
Globularity: 0.0749756	Sterimol/B1: 2.54517	Sterimol/B2: 3.49854	Sterimol/B3: 3.76021
Sterimol/B4: 10.3385	Sterimol/L: 17.194

Surface and Volume Properties
Accessible surface: 655.477	Positive charged surface: 406.709	Negative charged surface: 243.713	Volume: 374.375
Hydrophobic surface: 598.724	Hydrophilic surface: 56.753

Pharmacophoric Properties
Hydrogen bond donors: 0	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.