MMsINC Database Search


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MMsINC code: MMs03706048

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

Oc1ccc(cc1\C=N\c1ccc(NC(=O)CC)cc1)Cc1ccccc1

InChI:

InChI=1/C23H22N2O2/c1-2-23(27)25-21-11-9-20(10-12-21)24-16-19-15-18(8-13-22(19)26)14-17-6-4-3-5-7-17/h3-13,15-16,26H,2,14H2,1H3,(H,25,27)/b24-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2501 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.47527	SlogP: 5.08207	Reactive groups: 0

Topological Properties
Globularity: 0.0296336	Sterimol/B1: 2.62383	Sterimol/B2: 3.33639	Sterimol/B3: 4.4588
Sterimol/B4: 7.50455	Sterimol/L: 20.0319

Surface and Volume Properties
Accessible surface: 678.022	Positive charged surface: 427.312	Negative charged surface: 250.709	Volume: 364.125
Hydrophobic surface: 559.41	Hydrophilic surface: 118.612

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.