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MMsINC code: MMs01701306

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(c2c(cccc2C)C)C(=O)CC1Nc1cc(ccc1C)C(O)=O

InChI:

InChI=1/C20H20N2O4/c1-11-7-8-14(20(25)26)9-15(11)21-16-10-17(23)22(19(16)24)18-12(2)5-4-6-13(18)3/h4-9,16,21H,10H2,1-3H3,(H,25,26)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.755 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.94066	SlogP: 3.05406	Reactive groups: 0

Topological Properties
Globularity: 0.145841	Sterimol/B1: 2.65046	Sterimol/B2: 2.85224	Sterimol/B3: 5.90204
Sterimol/B4: 7.72926	Sterimol/L: 14.9235

Surface and Volume Properties
Accessible surface: 594.218	Positive charged surface: 325.641	Negative charged surface: 268.577	Volume: 334.875
Hydrophobic surface: 442.48	Hydrophilic surface: 151.738

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs01701307
ENAMINE-ZINC06831574