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MMsINC code: MMs03296996

Type: Neutral
Formula: C₂₃H₃₄N₂O

SMILES:

O(CCCCCC)c1c2c(cccc2)c(cc1)C(N(CCC)CCC)=N

InChI:

InChI=1/C23H34N2O/c1-4-7-8-11-18-26-22-15-14-21(19-12-9-10-13-20(19)22)23(24)25(16-5-2)17-6-3/h9-10,12-15,24H,4-8,11,16-18H2,1-3H3/b24-23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4264 kcal/mol

Physical Properties
Molecular Weight: 354.538 g/mol	logS: -6.68664	SlogP: 6.24627	Reactive groups: 0

Topological Properties
Globularity: 0.0728402	Sterimol/B1: 3.70017	Sterimol/B2: 4.44393	Sterimol/B3: 5.20946
Sterimol/B4: 6.34391	Sterimol/L: 21.4237

Surface and Volume Properties
Accessible surface: 704.869	Positive charged surface: 496.812	Negative charged surface: 202.033	Volume: 395
Hydrophobic surface: 590.721	Hydrophilic surface: 114.148

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: 0

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Ions/Tautomers related molecules: no related molecules available.