MMsINC Database Search


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MMsINC code: MMs02410751

Type: Neutral
Formula: C₁₉H₂₇N

SMILES:

N1(C2C(CC(CC2)C2CCCCC2)c2c1cccc2)C

InChI:

InChI=1/C19H27N/c1-20-18-10-6-5-9-16(18)17-13-15(11-12-19(17)20)14-7-3-2-4-8-14/h5-6,9-10,14-15,17,19H,2-4,7-8,11-13H2,1H3/t15-,17+,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.17 kcal/mol

Physical Properties
Molecular Weight: 269.432 g/mol	logS: -5.62937	SlogP: 4.969	Reactive groups: 0

Topological Properties
Globularity: 0.0498941	Sterimol/B1: 2.5084	Sterimol/B2: 2.51884	Sterimol/B3: 3.74002
Sterimol/B4: 7.50468	Sterimol/L: 15.2501

Surface and Volume Properties
Accessible surface: 508.467	Positive charged surface: 388.638	Negative charged surface: 119.829	Volume: 295.625
Hydrophobic surface: 504.383	Hydrophilic surface: 4.084

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 3

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.