MMsINC Database Search


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MMsINC code: MMs02819505

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C(c1ccc(cc1)C)c1n(Cc2ccccc2)c(nc1)C

InChI:

InChI=1/C19H18N2O/c1-14-8-10-17(11-9-14)19(22)18-12-20-15(2)21(18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8853 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.34295	SlogP: 4.04564	Reactive groups: 0

Topological Properties
Globularity: 0.0939756	Sterimol/B1: 2.88715	Sterimol/B2: 4.53021	Sterimol/B3: 5.03486
Sterimol/B4: 5.36823	Sterimol/L: 15.2583

Surface and Volume Properties
Accessible surface: 533.574	Positive charged surface: 318.346	Negative charged surface: 215.229	Volume: 296.625
Hydrophobic surface: 486.639	Hydrophilic surface: 46.935

Pharmacophoric Properties
Hydrogen bond donors: 0	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.