MMsINC Database Search


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MMsINC code: MMs01826686

Type: Neutral
Formula: C₁₈H₁₉N

SMILES:

n1(c2c(cccc2)c(C)c1CC)Cc1ccccc1

InChI:

InChI=1/C18H19N/c1-3-17-14(2)16-11-7-8-12-18(16)19(17)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1856 kcal/mol

Physical Properties
Molecular Weight: 249.357 g/mol	logS: -4.01232	SlogP: 4.82679	Reactive groups: 0

Topological Properties
Globularity: 0.18983	Sterimol/B1: 2.48729	Sterimol/B2: 2.5161	Sterimol/B3: 4.81935
Sterimol/B4: 9.16636	Sterimol/L: 11.9979

Surface and Volume Properties
Accessible surface: 484.703	Positive charged surface: 283.312	Negative charged surface: 196.182	Volume: 275.5
Hydrophobic surface: 451.059	Hydrophilic surface: 33.644

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.