MMsINC Database Search


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MMsINC code: MMs00937723

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(CC(=O)N(CCC)CCC)C1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H26N2O3/c1-4-11-20(12-5-2)19(23)14-24-17-13-18(22)21(6-3)16-10-8-7-9-15(16)17/h7-10,13H,4-6,11-12,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4038 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -3.64736	SlogP: 3.0592	Reactive groups: 0

Topological Properties
Globularity: 0.0365204	Sterimol/B1: 2.13063	Sterimol/B2: 2.58721	Sterimol/B3: 3.63298
Sterimol/B4: 9.51731	Sterimol/L: 17.0083

Surface and Volume Properties
Accessible surface: 619.895	Positive charged surface: 414.343	Negative charged surface: 205.552	Volume: 338.75
Hydrophobic surface: 484.945	Hydrophilic surface: 134.95

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.