MMsINC Database Search


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MMsINC code: MMs00600132

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C(Nc1c2c(ccc1)cccc2)NCCc1ccccc1

InChI:

InChI=1/C19H18N2O/c22-19(20-14-13-15-7-2-1-3-8-15)21-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5984 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -5.13544	SlogP: 4.20397	Reactive groups: 0

Topological Properties
Globularity: 0.0369561	Sterimol/B1: 3.25008	Sterimol/B2: 4.10038	Sterimol/B3: 4.77746
Sterimol/B4: 5.14524	Sterimol/L: 18.1329

Surface and Volume Properties
Accessible surface: 563.984	Positive charged surface: 322.763	Negative charged surface: 230.984	Volume: 295
Hydrophobic surface: 505.846	Hydrophilic surface: 58.138

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.