MMsINC Database Search


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MMsINC code: MMs03217790

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

OC(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccccc1

InChI:

InChI=1/C19H18N2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H,20-21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.765 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.13346	SlogP: 3.4467	Reactive groups: 0

Topological Properties
Globularity: 0.27903	Sterimol/B1: 2.4736	Sterimol/B2: 3.10934	Sterimol/B3: 4.92664
Sterimol/B4: 8.69273	Sterimol/L: 13.2956

Surface and Volume Properties
Accessible surface: 526.884	Positive charged surface: 323.922	Negative charged surface: 202.963	Volume: 291.625
Hydrophobic surface: 380.997	Hydrophilic surface: 145.887

Pharmacophoric Properties
Hydrogen bond donors: 3	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.