MMsINC Database Search


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MMsINC code: MMs00670180

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(OC)cc3)c(cc1)C)cc(cc2)C

InChI:

InChI=1/C23H20N2O3/c1-14-4-11-21-20(12-14)25-23(28-21)17-6-5-15(2)19(13-17)24-22(26)16-7-9-18(27-3)10-8-16/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.596 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.35531	SlogP: 5.37254	Reactive groups: 0

Topological Properties
Globularity: 0.0104811	Sterimol/B1: 2.90752	Sterimol/B2: 3.08197	Sterimol/B3: 3.68917
Sterimol/B4: 7.86933	Sterimol/L: 21.0096

Surface and Volume Properties
Accessible surface: 669.692	Positive charged surface: 410.189	Negative charged surface: 259.504	Volume: 362.5
Hydrophobic surface: 591.416	Hydrophilic surface: 78.276

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.