MMsINC Database Search


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MMsINC code: MMs02647516

Type: Neutral
Formula: C₂₁H₁₆N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)Cc3ccccc3)ccc1O)cccc2

InChI:

InChI=1/C21H16N2O3/c24-18-11-10-15(22-20(25)12-14-6-2-1-3-7-14)13-16(18)21-23-17-8-4-5-9-19(17)26-21/h1-11,13,24H,12H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9051 kcal/mol

Physical Properties
Molecular Weight: 344.37 g/mol	logS: -6.37006	SlogP: 4.38157	Reactive groups: 0

Topological Properties
Globularity: 0.043103	Sterimol/B1: 2.99806	Sterimol/B2: 3.22956	Sterimol/B3: 4.12991
Sterimol/B4: 9.37366	Sterimol/L: 15.928

Surface and Volume Properties
Accessible surface: 621.325	Positive charged surface: 371.854	Negative charged surface: 249.471	Volume: 326.875
Hydrophobic surface: 509.833	Hydrophilic surface: 111.492

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.