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MMsINC code: MMs01671853

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(C(=O)c1c2CCCc2nc2c1cccc2)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C23H22N2O3/c26-21(24-14-13-16-7-2-1-3-8-16)15-28-23(27)22-17-9-4-5-11-19(17)25-20-12-6-10-18(20)22/h1-5,7-9,11H,6,10,12-15H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1882 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -4.93068	SlogP: 3.23911	Reactive groups: 0

Topological Properties
Globularity: 0.0465594	Sterimol/B1: 2.12568	Sterimol/B2: 5.65675	Sterimol/B3: 5.80117
Sterimol/B4: 6.15679	Sterimol/L: 19.1949

Surface and Volume Properties
Accessible surface: 688.705	Positive charged surface: 420.161	Negative charged surface: 262.676	Volume: 368.125
Hydrophobic surface: 584.63	Hydrophilic surface: 104.075

Pharmacophoric Properties
Hydrogen bond donors: 1	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.