MMsINC Database Search


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MMsINC code: MMs00888488

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O(C)c1nc(nc(C)c1Cc1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7174 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -5.45136	SlogP: 4.05139	Reactive groups: 0

Topological Properties
Globularity: 0.111416	Sterimol/B1: 2.28632	Sterimol/B2: 2.50716	Sterimol/B3: 5.41805
Sterimol/B4: 8.41818	Sterimol/L: 15.2391

Surface and Volume Properties
Accessible surface: 541.68	Positive charged surface: 341.328	Negative charged surface: 195.335	Volume: 298.75
Hydrophobic surface: 517.572	Hydrophilic surface: 24.108

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.