MMsINC Database Search


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MMsINC code: MMs02876797

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

Oc1ccccc1C1N(CCN1c1ccc(cc1)C)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=234.531 kcal/mol

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

Topological Properties
Globularity: 0.158221	Sterimol/B1: 3.53352	Sterimol/B2: 3.96878	Sterimol/B3: 5.72117
Sterimol/B4: 6.25707	Sterimol/L: 16.7456

Surface and Volume Properties
Accessible surface: 588.379	Positive charged surface: 391.529	Negative charged surface: 196.85	Volume: 353.25
Hydrophobic surface: 544.136	Hydrophilic surface: 44.243

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.