MMsINC Database Search


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MMsINC code: MMs01670870

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

OCc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C19H22N2O2/c22-15-17-6-8-18(9-7-17)19(23)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9,22H,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.872 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.01067	SlogP: 2.6697	Reactive groups: 0

Topological Properties
Globularity: 0.0460304	Sterimol/B1: 2.86511	Sterimol/B2: 3.90697	Sterimol/B3: 4.24121
Sterimol/B4: 4.55161	Sterimol/L: 18.9666

Surface and Volume Properties
Accessible surface: 578.322	Positive charged surface: 392.18	Negative charged surface: 186.141	Volume: 313.125
Hydrophobic surface: 476.981	Hydrophilic surface: 101.341

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01670871
ENAMINE-ZINC06550000