MMsINC Database Search


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MMsINC code: MMs02012504

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(CCN2CCCCC2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C19H20N2O2/c22-18-15-8-4-6-14-7-5-9-16(17(14)15)19(23)21(18)13-12-20-10-2-1-3-11-20/h4-9H,1-3,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4549 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.46465	SlogP: 2.9217	Reactive groups: 0

Topological Properties
Globularity: 0.0451932	Sterimol/B1: 2.43722	Sterimol/B2: 2.97098	Sterimol/B3: 3.70328
Sterimol/B4: 7.26987	Sterimol/L: 16.3925

Surface and Volume Properties
Accessible surface: 545.587	Positive charged surface: 361.025	Negative charged surface: 173.49	Volume: 300.875
Hydrophobic surface: 485.412	Hydrophilic surface: 60.175

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02012505
IFLAB-ZINC04071322