MMsINC Database Search


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MMsINC code: MMs00329930

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)NC1CCCCC1)c1ccc(cc1C)C

InChI:

InChI=1/C19H26N2O2/c1-13-8-9-17(14(2)10-13)21-12-15(11-18(21)22)19(23)20-16-6-4-3-5-7-16/h8-10,15-16H,3-7,11-12H2,1-2H3,(H,20,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6831 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.54632	SlogP: 3.10524	Reactive groups: 0

Topological Properties
Globularity: 0.0591303	Sterimol/B1: 2.47818	Sterimol/B2: 3.72495	Sterimol/B3: 3.90677
Sterimol/B4: 7.3332	Sterimol/L: 17.2084

Surface and Volume Properties
Accessible surface: 588.918	Positive charged surface: 407.143	Negative charged surface: 181.775	Volume: 325.375
Hydrophobic surface: 529.492	Hydrophilic surface: 59.426

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.