MMsINC Database Search


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MMsINC code: MMs00276548

Type: Neutral
Formula: C₁₇H₁₈N₂O

SMILES:

O(CCCn1c2c(nc1)cccc2)c1ccccc1C

InChI:

InChI=1/C17H18N2O/c1-14-7-2-5-10-17(14)20-12-6-11-19-13-18-15-8-3-4-9-16(15)19/h2-5,7-10,13H,6,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4671 kcal/mol

Physical Properties
Molecular Weight: 266.344 g/mol	logS: -3.90555	SlogP: 4.08022	Reactive groups: 0

Topological Properties
Globularity: 0.0810634	Sterimol/B1: 2.28542	Sterimol/B2: 2.78532	Sterimol/B3: 5.18991
Sterimol/B4: 6.09177	Sterimol/L: 16.6034

Surface and Volume Properties
Accessible surface: 541.847	Positive charged surface: 346.293	Negative charged surface: 195.554	Volume: 277.625
Hydrophobic surface: 511.346	Hydrophilic surface: 30.501

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.