MMsINC Database Search


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MMsINC code: MMs01919459

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1Nc2cc(ccc2C=C1CN(C(C)(C)C)C(=O)C(C)C)C

InChI:

InChI=1/C19H26N2O2/c1-12(2)18(23)21(19(4,5)6)11-15-10-14-8-7-13(3)9-16(14)20-17(15)22/h7-10,12H,11H2,1-6H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=200.173 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -4.15781	SlogP: 3.61362	Reactive groups: 0

Topological Properties
Globularity: 0.0947953	Sterimol/B1: 2.84949	Sterimol/B2: 4.18815	Sterimol/B3: 5.08914
Sterimol/B4: 5.29848	Sterimol/L: 15.6345

Surface and Volume Properties
Accessible surface: 544.129	Positive charged surface: 352.629	Negative charged surface: 191.499	Volume: 318.625
Hydrophobic surface: 397.363	Hydrophilic surface: 146.766

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.