MMsINC Database Search


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MMsINC code: MMs00136378

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(c2c3c1cccc3ccc2)CC(=O)NC1CCCCC1

InChI:

InChI=1/C19H20N2O2/c22-17(20-14-8-2-1-3-9-14)12-21-16-11-5-7-13-6-4-10-15(18(13)16)19(21)23/h4-7,10-11,14H,1-3,8-9,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0326 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -5.12497	SlogP: 3.2489	Reactive groups: 0

Topological Properties
Globularity: 0.0686623	Sterimol/B1: 2.89097	Sterimol/B2: 3.07318	Sterimol/B3: 4.71712
Sterimol/B4: 6.87661	Sterimol/L: 16.1918

Surface and Volume Properties
Accessible surface: 563.149	Positive charged surface: 365.351	Negative charged surface: 186.978	Volume: 301.625
Hydrophobic surface: 482.342	Hydrophilic surface: 80.807

Pharmacophoric Properties
Hydrogen bond donors: 1	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.