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MMsINC code: MMs00795902

Type: Neutral
Formula: C₂₄H₃₂N₂O

SMILES:

O(CCCCN1CCN(CC1)Cc1ccccc1)c1ccccc1CC=C

InChI:

InChI=1/C24H32N2O/c1-2-10-23-13-6-7-14-24(23)27-20-9-8-15-25-16-18-26(19-17-25)21-22-11-4-3-5-12-22/h2-7,11-14H,1,8-10,15-21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.796 kcal/mol

Physical Properties
Molecular Weight: 364.533 g/mol	logS: -4.70948	SlogP: 4.65827	Reactive groups: 0

Topological Properties
Globularity: 0.0642405	Sterimol/B1: 2.54721	Sterimol/B2: 3.60522	Sterimol/B3: 6.45396
Sterimol/B4: 6.65446	Sterimol/L: 19.8865

Surface and Volume Properties
Accessible surface: 722.687	Positive charged surface: 518.755	Negative charged surface: 203.932	Volume: 398.875
Hydrophobic surface: 665.554	Hydrophilic surface: 57.133

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules

MMs00795903
CHEMBRIDGE-ZINC04833822