MMsINC Database Search


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MMsINC code: MMs02802374

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(C(C(=O)NC2CCCCC2)(C)C)C(C1)c1ccccc1

InChI:

InChI=1/C19H26N2O2/c1-19(2,18(23)20-15-11-7-4-8-12-15)21-16(13-17(21)22)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3,(H,20,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5963 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.75391	SlogP: 3.283	Reactive groups: 0

Topological Properties
Globularity: 0.116885	Sterimol/B1: 2.89402	Sterimol/B2: 3.37838	Sterimol/B3: 5.34884
Sterimol/B4: 6.23984	Sterimol/L: 16.706

Surface and Volume Properties
Accessible surface: 570.207	Positive charged surface: 345.448	Negative charged surface: 180.468	Volume: 327.125
Hydrophobic surface: 486.688	Hydrophilic surface: 83.519

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.