MMsINC Database Search


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MMsINC code: MMs00518596

Type: Neutral
Formula: C₁₉H₂₆N₂O₄

SMILES:

O1C2(CCCCC2)C(O)(N(CCC(=O)Nc2ccc(cc2)C)C1=O)C

InChI:

InChI=1/C19H26N2O4/c1-14-6-8-15(9-7-14)20-16(22)10-13-21-17(23)25-19(18(21,2)24)11-4-3-5-12-19/h6-9,24H,3-5,10-13H2,1-2H3,(H,20,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6511 kcal/mol

Physical Properties
Molecular Weight: 346.427 g/mol	logS: -3.88682	SlogP: 3.18722	Reactive groups: 0

Topological Properties
Globularity: 0.038417	Sterimol/B1: 3.24084	Sterimol/B2: 3.64566	Sterimol/B3: 4.07179
Sterimol/B4: 4.34568	Sterimol/L: 19.6706

Surface and Volume Properties
Accessible surface: 604.743	Positive charged surface: 407.205	Negative charged surface: 197.538	Volume: 339.125
Hydrophobic surface: 472.636	Hydrophilic surface: 132.107

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.