MMsINC Database Search


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MMsINC code: MMs00745935

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(CCOc1c2ncccc2ccc1)c1cc(ccc1C)C

InChI:

InChI=1/C19H19NO2/c1-14-8-9-15(2)18(13-14)22-12-11-21-17-7-3-5-16-6-4-10-20-19(16)17/h3-10,13H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9313 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.50291	SlogP: 4.30944	Reactive groups: 0

Topological Properties
Globularity: 0.08576	Sterimol/B1: 2.25902	Sterimol/B2: 3.26037	Sterimol/B3: 5.60788
Sterimol/B4: 5.79241	Sterimol/L: 16.2509

Surface and Volume Properties
Accessible surface: 579.462	Positive charged surface: 379.291	Negative charged surface: 195.53	Volume: 298.625
Hydrophobic surface: 557.031	Hydrophilic surface: 22.431

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.