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MMsINC code: MMs02301941

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

OCCN(C(Cc1ccccc1)Cc1ccccc1)CCO

InChI:

InChI=1/C19H25NO2/c21-13-11-20(12-14-22)19(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,21-22H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.562 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -2.74209	SlogP: 2.12694	Reactive groups: 0

Topological Properties
Globularity: 0.203583	Sterimol/B1: 3.31549	Sterimol/B2: 3.96281	Sterimol/B3: 4.37417
Sterimol/B4: 6.61127	Sterimol/L: 14.1616

Surface and Volume Properties
Accessible surface: 516.228	Positive charged surface: 357.991	Negative charged surface: 158.237	Volume: 312.5
Hydrophobic surface: 456.241	Hydrophilic surface: 59.987

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02301942
NCID-ZINC01665786