MMsINC Database Search


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MMsINC code: MMs03236999

Type: Neutral
Formula: C₂₁H₂₃N

SMILES:

N(c1ccc2c(cccc2)c1C)c1ccc(cc1)CCCC

InChI:

InChI=1/C21H23N/c1-3-4-7-17-10-13-19(14-11-17)22-21-15-12-18-8-5-6-9-20(18)16(21)2/h5-6,8-15,22H,3-4,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7181 kcal/mol

Physical Properties
Molecular Weight: 289.422 g/mol	logS: -7.06313	SlogP: 6.23439	Reactive groups: 0

Topological Properties
Globularity: 0.030514	Sterimol/B1: 2.5284	Sterimol/B2: 3.27242	Sterimol/B3: 4.38621
Sterimol/B4: 6.24165	Sterimol/L: 18.4227

Surface and Volume Properties
Accessible surface: 582.405	Positive charged surface: 359.419	Negative charged surface: 212.749	Volume: 314.25
Hydrophobic surface: 548.904	Hydrophilic surface: 33.501

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.