MMsINC Database Search


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MMsINC code: MMs00273274

Type: Neutral
Formula: C₁₈H₁₇NO₂

SMILES:

O1CCOC1(Cn1c2c(cccc2)cc1)c1ccccc1

InChI:

InChI=1/C18H17NO2/c1-2-7-16(8-3-1)18(20-12-13-21-18)14-19-11-10-15-6-4-5-9-17(15)19/h1-11H,12-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9958 kcal/mol

Physical Properties
Molecular Weight: 279.339 g/mol	logS: -3.82677	SlogP: 4.119	Reactive groups: 0

Topological Properties
Globularity: 0.12659	Sterimol/B1: 2.95305	Sterimol/B2: 4.02436	Sterimol/B3: 4.70811
Sterimol/B4: 5.02932	Sterimol/L: 14.5574

Surface and Volume Properties
Accessible surface: 496.948	Positive charged surface: 309.328	Negative charged surface: 184.008	Volume: 278.875
Hydrophobic surface: 480.584	Hydrophilic surface: 16.364

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.