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MMsINC code: MMs00197181

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1)C1N(C(=O)C(O)=C1C(=O)c1ccccc1)c1cccnc1

InChI:

InChI=1/C23H18N2O4/c1-29-18-11-5-9-16(13-18)20-19(21(26)15-7-3-2-4-8-15)22(27)23(28)25(20)17-10-6-12-24-14-17/h2-14,20,27H,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.138 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -4.4787	SlogP: 3.9686	Reactive groups: 1

Topological Properties
Globularity: 0.242293	Sterimol/B1: 2.16189	Sterimol/B2: 3.87746	Sterimol/B3: 4.9082
Sterimol/B4: 10.4574	Sterimol/L: 15.0884

Surface and Volume Properties
Accessible surface: 620.489	Positive charged surface: 382.374	Negative charged surface: 238.115	Volume: 363.25
Hydrophobic surface: 493.028	Hydrophilic surface: 127.461

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs00197184
ASINEX-ZINC00860912