MMsINC Database Search


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MMsINC code: MMs00624039

Type: Neutral
Formula: C₁₈H₁₉NO

SMILES:

O=C(N1CCCc2c1cccc2)Cc1ccc(cc1)C

InChI:

InChI=1/C18H19NO/c1-14-8-10-15(11-9-14)13-18(20)19-12-4-6-16-5-2-3-7-17(16)19/h2-3,5,7-11H,4,6,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2335 kcal/mol

Physical Properties
Molecular Weight: 265.356 g/mol	logS: -4.16991	SlogP: 3.51686	Reactive groups: 0

Topological Properties
Globularity: 0.0653048	Sterimol/B1: 3.38132	Sterimol/B2: 4.09982	Sterimol/B3: 4.60644
Sterimol/B4: 5.4373	Sterimol/L: 15.5744

Surface and Volume Properties
Accessible surface: 511.748	Positive charged surface: 332.669	Negative charged surface: 179.079	Volume: 274.875
Hydrophobic surface: 496.081	Hydrophilic surface: 15.667

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