MMsINC Database Search


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MMsINC code: MMs00106275

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NC(Cc1ccccc1)C)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C19H24N2O/c1-15(13-16-7-5-4-6-8-16)20-19(22)14-17-9-11-18(12-10-17)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4568 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.67647	SlogP: 3.04244	Reactive groups: 0

Topological Properties
Globularity: 0.0724785	Sterimol/B1: 2.02912	Sterimol/B2: 2.86658	Sterimol/B3: 4.55613
Sterimol/B4: 8.62723	Sterimol/L: 15.6382

Surface and Volume Properties
Accessible surface: 595.596	Positive charged surface: 419.189	Negative charged surface: 176.407	Volume: 321.125
Hydrophobic surface: 548.919	Hydrophilic surface: 46.677

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.