MMsINC Database Search


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MMsINC code: MMs02054877

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(CC(NC(=O)C2CCCCC2)C1)c1cc(C)c(cc1)C

InChI:

InChI=1/C19H26N2O2/c1-13-8-9-17(10-14(13)2)21-12-16(11-18(21)22)20-19(23)15-6-4-3-5-7-15/h8-10,15-16H,3-7,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.019 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -4.48667	SlogP: 3.10524	Reactive groups: 0

Topological Properties
Globularity: 0.0390934	Sterimol/B1: 3.04977	Sterimol/B2: 3.89146	Sterimol/B3: 3.97528
Sterimol/B4: 5.58298	Sterimol/L: 18.6191

Surface and Volume Properties
Accessible surface: 595.173	Positive charged surface: 408.409	Negative charged surface: 186.765	Volume: 322.75
Hydrophobic surface: 522.297	Hydrophilic surface: 72.876

Pharmacophoric Properties
Hydrogen bond donors: 1	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.