MMsINC Database Search


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MMsINC code: MMs01484073

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O1c2c(c3c(cc2)cccc3)C(=CC1=O)COC(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H19NO4/c1-24(2)18-10-7-16(8-11-18)23(26)27-14-17-13-21(25)28-20-12-9-15-5-3-4-6-19(15)22(17)20/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.142 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.76195	SlogP: 4.0652	Reactive groups: 0

Topological Properties
Globularity: 0.0108317	Sterimol/B1: 2.4643	Sterimol/B2: 2.99526	Sterimol/B3: 4.00596
Sterimol/B4: 7.10848	Sterimol/L: 18.9109

Surface and Volume Properties
Accessible surface: 637.81	Positive charged surface: 375.206	Negative charged surface: 253.029	Volume: 355.875
Hydrophobic surface: 530.248	Hydrophilic surface: 107.562

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.