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MMsINC code: MMs00009852

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

Oc1ccc(N2N(C(=O)C(CCCC)C2=O)c2ccccc2)cc1

InChI:

InChI=1/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2819 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.89958	SlogP: 3.4934	Reactive groups: 0

Topological Properties
Globularity: 0.0773172	Sterimol/B1: 3.31099	Sterimol/B2: 4.05385	Sterimol/B3: 5.28168
Sterimol/B4: 6.02641	Sterimol/L: 16.1124

Surface and Volume Properties
Accessible surface: 576.326	Positive charged surface: 359.709	Negative charged surface: 216.617	Volume: 315.625
Hydrophobic surface: 443.739	Hydrophilic surface: 132.587

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00009853
ACROSORGANICS-ZINC01606505