MMsINC Database Search


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MMsINC code: MMs00262096

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

Oc1cc(ccc1)C1N(CCN1c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O/c1-17-6-10-20(11-7-17)24-14-15-25(21-12-8-18(2)9-13-21)23(24)19-4-3-5-22(26)16-19/h3-13,16,23,26H,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=229.542 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.4174	SlogP: 5.12994	Reactive groups: 0

Topological Properties
Globularity: 0.152174	Sterimol/B1: 3.09055	Sterimol/B2: 4.52977	Sterimol/B3: 5.67952
Sterimol/B4: 6.5156	Sterimol/L: 16.7279

Surface and Volume Properties
Accessible surface: 592.091	Positive charged surface: 386.529	Negative charged surface: 205.563	Volume: 351.75
Hydrophobic surface: 524.345	Hydrophilic surface: 67.746

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.