MMsINC Database Search


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MMsINC code: MMs03048400

Type: Neutral
Formula: C₁₉H₂₃N

SMILES:

N1c2c(CC1c1ccc(cc1)C)cc(cc2)CCCC

InChI:

InChI=1/C19H23N/c1-3-4-5-15-8-11-18-17(12-15)13-19(20-18)16-9-6-14(2)7-10-16/h6-12,19-20H,3-5,13H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8184 kcal/mol

Physical Properties
Molecular Weight: 265.4 g/mol	logS: -5.62661	SlogP: 5.14236	Reactive groups: 0

Topological Properties
Globularity: 0.0739317	Sterimol/B1: 2.23319	Sterimol/B2: 3.53313	Sterimol/B3: 4.33286
Sterimol/B4: 6.61855	Sterimol/L: 17.0182

Surface and Volume Properties
Accessible surface: 561.715	Positive charged surface: 379.739	Negative charged surface: 181.975	Volume: 294.25
Hydrophobic surface: 514.334	Hydrophilic surface: 47.381

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.