MMsINC Database Search


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MMsINC code: MMs02315981

Type: Neutral
Formula: C₁₉H₃₀N₂

SMILES:

n1(CCCCCCCn2c(ccc2C)C)c(ccc1C)C

InChI:

InChI=1/C19H30N2/c1-16-10-11-17(2)20(16)14-8-6-5-7-9-15-21-18(3)12-13-19(21)4/h10-13H,5-9,14-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.266 kcal/mol

Physical Properties
Molecular Weight: 286.463 g/mol	logS: -2.42954	SlogP: 5.70678	Reactive groups: 0

Topological Properties
Globularity: 0.0418753	Sterimol/B1: 2.11023	Sterimol/B2: 3.11518	Sterimol/B3: 3.15049
Sterimol/B4: 7.18906	Sterimol/L: 17.6834

Surface and Volume Properties
Accessible surface: 621.206	Positive charged surface: 423.883	Negative charged surface: 197.323	Volume: 332
Hydrophobic surface: 603.342	Hydrophilic surface: 17.864

Pharmacophoric Properties
Hydrogen bond donors: 0	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.