MMsINC Database Search


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MMsINC code: MMs01978718

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(C)c1c2C=C(CCNC(=O)C3CCCC3)C(=O)Nc2c(OC)cc1

InChI:

InChI=1/C19H24N2O4/c1-24-15-7-8-16(25-2)17-14(15)11-13(19(23)21-17)9-10-20-18(22)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6532 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.71933	SlogP: 2.7358	Reactive groups: 0

Topological Properties
Globularity: 0.038647	Sterimol/B1: 2.4857	Sterimol/B2: 3.58837	Sterimol/B3: 3.63155
Sterimol/B4: 9.07945	Sterimol/L: 18.2966

Surface and Volume Properties
Accessible surface: 633.324	Positive charged surface: 490.556	Negative charged surface: 142.768	Volume: 334.125
Hydrophobic surface: 524.68	Hydrophilic surface: 108.644

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.