MMsINC Database Search


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MMsINC code: MMs01163893

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

o1c2cc(n(c2cc1)CCCc1ccccc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C23H22N2O2/c1-17-9-11-19(12-10-17)24-23(26)21-16-22-20(13-15-27-22)25(21)14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0366 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.76421	SlogP: 5.69419	Reactive groups: 0

Topological Properties
Globularity: 0.0637649	Sterimol/B1: 3.21771	Sterimol/B2: 3.46278	Sterimol/B3: 4.77207
Sterimol/B4: 8.57173	Sterimol/L: 16.4756

Surface and Volume Properties
Accessible surface: 625.561	Positive charged surface: 335.443	Negative charged surface: 290.117	Volume: 359.5
Hydrophobic surface: 577.307	Hydrophilic surface: 48.254

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.