MMsINC Database Search


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MMsINC code: MMs00600563

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O(C)c1ccc(cc1NCc1ncccc1)-c1ccccc1

InChI:

InChI=1/C19H18N2O/c1-22-19-11-10-16(15-7-3-2-4-8-15)13-18(19)21-14-17-9-5-6-12-20-17/h2-13,21H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.517 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.32078	SlogP: 4.6357	Reactive groups: 0

Topological Properties
Globularity: 0.0398312	Sterimol/B1: 2.11754	Sterimol/B2: 3.45144	Sterimol/B3: 3.8199
Sterimol/B4: 10.0332	Sterimol/L: 16.7153

Surface and Volume Properties
Accessible surface: 571.771	Positive charged surface: 360.935	Negative charged surface: 199.764	Volume: 297.5
Hydrophobic surface: 537.057	Hydrophilic surface: 34.714

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.