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MMsINC code: MMs01283088

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(c2ccccc2C)C(=O)CC1Nc1cc(ccc1C)C(O)=O

InChI:

InChI=1/C19H18N2O4/c1-11-7-8-13(19(24)25)9-14(11)20-15-10-17(22)21(18(15)23)16-6-4-3-5-12(16)2/h3-9,15,20H,10H2,1-2H3,(H,24,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.107 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.78019	SlogP: 2.74564	Reactive groups: 0

Topological Properties
Globularity: 0.137928	Sterimol/B1: 3.73062	Sterimol/B2: 3.8311	Sterimol/B3: 5.26537
Sterimol/B4: 6.69601	Sterimol/L: 14.8899

Surface and Volume Properties
Accessible surface: 580.798	Positive charged surface: 320.478	Negative charged surface: 260.32	Volume: 317.75
Hydrophobic surface: 421.738	Hydrophilic surface: 159.06

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

MMs01283089
ENAMINE-ZINC02662394