MMsINC Database Search


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MMsINC code: MMs02288301

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C1N=C(N(CCc2ccccc2)C1(C)c1ccccc1)C

InChI:

InChI=1/C19H20N2O/c1-15-20-18(22)19(2,17-11-7-4-8-12-17)21(15)14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0645 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.21988	SlogP: 3.71657	Reactive groups: 0

Topological Properties
Globularity: 0.20273	Sterimol/B1: 2.48009	Sterimol/B2: 3.65848	Sterimol/B3: 5.1481
Sterimol/B4: 8.14099	Sterimol/L: 13.5365

Surface and Volume Properties
Accessible surface: 534.314	Positive charged surface: 286.344	Negative charged surface: 247.97	Volume: 303
Hydrophobic surface: 456.735	Hydrophilic surface: 77.579

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.