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MMsINC code: MMs00957935

Type: Neutral
Formula: C₂₄H₂₂N₂O

SMILES:

O=C(NCCn1c2c(cc1C)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H22N2O/c1-18-17-22-9-5-6-10-23(22)26(18)16-15-25-24(27)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6618 kcal/mol

Physical Properties
Molecular Weight: 354.453 g/mol	logS: -6.24903	SlogP: 5.31312	Reactive groups: 0

Topological Properties
Globularity: 0.0500785	Sterimol/B1: 2.20489	Sterimol/B2: 4.07308	Sterimol/B3: 4.53879
Sterimol/B4: 8.39569	Sterimol/L: 21.0473

Surface and Volume Properties
Accessible surface: 653.346	Positive charged surface: 342.613	Negative charged surface: 295.018	Volume: 363.125
Hydrophobic surface: 606.185	Hydrophilic surface: 47.161

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.