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MMsINC code: MMs01824960

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

OC(=O)C(NC(=O)Nc1c2c(ccc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C20H18N2O3/c23-19(24)18(13-14-7-2-1-3-8-14)22-20(25)21-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2,(H,23,24)(H2,21,22,25)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5388 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -5.13128	SlogP: 3.65717	Reactive groups: 0

Topological Properties
Globularity: 0.0990824	Sterimol/B1: 2.47436	Sterimol/B2: 3.18805	Sterimol/B3: 4.2385
Sterimol/B4: 9.09491	Sterimol/L: 14.0533

Surface and Volume Properties
Accessible surface: 588.027	Positive charged surface: 317.101	Negative charged surface: 260.569	Volume: 319.625
Hydrophobic surface: 463.285	Hydrophilic surface: 124.742

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01824961
IBS-ZINC02290804