MMsINC Database Search


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MMsINC code: MMs01666088

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O1N=C(NC1c1ccccc1OCc1ccc(cc1)C(OC)=O)c1ccccc1

InChI:

InChI=1/C23H20N2O4/c1-27-23(26)18-13-11-16(12-14-18)15-28-20-10-6-5-9-19(20)22-24-21(25-29-22)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,24,25)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.775 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -5.75604	SlogP: 4.3943	Reactive groups: 0

Topological Properties
Globularity: 0.0475393	Sterimol/B1: 2.23984	Sterimol/B2: 3.25681	Sterimol/B3: 4.18985
Sterimol/B4: 10.0635	Sterimol/L: 20.1514

Surface and Volume Properties
Accessible surface: 695.753	Positive charged surface: 410.544	Negative charged surface: 285.209	Volume: 370.25
Hydrophobic surface: 590.218	Hydrophilic surface: 105.535

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: no related molecules available.