MMsINC Database Search


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MMsINC code: MMs00119052

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(NC1CCCCCCC1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H23NO/c21-19(20-18-10-4-2-1-3-5-11-18)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,18H,1-5,10-11H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.503 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -5.91047	SlogP: 4.6825	Reactive groups: 0

Topological Properties
Globularity: 0.0555914	Sterimol/B1: 3.80685	Sterimol/B2: 4.05466	Sterimol/B3: 4.16052
Sterimol/B4: 4.24904	Sterimol/L: 16.5085

Surface and Volume Properties
Accessible surface: 537.121	Positive charged surface: 331.811	Negative charged surface: 194.239	Volume: 294.75
Hydrophobic surface: 507.801	Hydrophilic surface: 29.32

Pharmacophoric Properties
Hydrogen bond donors: 1	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.