MMsINC Database Search


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MMsINC code: MMs02816059

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O(CC)c1c2c(ncc1)c(c1c([nH]c3c1cccc3)c2C)C

InChI:

InChI=1/C19H18N2O/c1-4-22-15-9-10-20-18-11(2)16-13-7-5-6-8-14(13)21-19(16)12(3)17(15)18/h5-10,21H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0298 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.80853	SlogP: 4.88484	Reactive groups: 0

Topological Properties
Globularity: 0.0119894	Sterimol/B1: 2.5042	Sterimol/B2: 2.50719	Sterimol/B3: 3.07499
Sterimol/B4: 7.10582	Sterimol/L: 15.8973

Surface and Volume Properties
Accessible surface: 521.615	Positive charged surface: 331.072	Negative charged surface: 173.488	Volume: 293.25
Hydrophobic surface: 471.108	Hydrophilic surface: 50.507

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.