MMsINC Database Search


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MMsINC code: MMs02485192

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O1CCN(C)C(c2c1cc(OC)cc2)c1ccccc1

InChI:

InChI=1/C17H19NO2/c1-18-10-11-20-16-12-14(19-2)8-9-15(16)17(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.156 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.27383	SlogP: 3.2043	Reactive groups: 0

Topological Properties
Globularity: 0.126706	Sterimol/B1: 2.78186	Sterimol/B2: 4.60052	Sterimol/B3: 4.73535
Sterimol/B4: 6.82396	Sterimol/L: 12.7081

Surface and Volume Properties
Accessible surface: 487.89	Positive charged surface: 371.706	Negative charged surface: 116.184	Volume: 272.375
Hydrophobic surface: 468.652	Hydrophilic surface: 19.238

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02485193
NCID-ZINC05664503