MMsINC Database Search


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MMsINC code: MMs00284051

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

Oc1ccc(cc1)C1N(CCN1c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O/c1-17-3-9-20(10-4-17)24-15-16-25(21-11-5-18(2)6-12-21)23(24)19-7-13-22(26)14-8-19/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)=230.6 kcal/mol

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

Topological Properties
Globularity: 0.136156	Sterimol/B1: 3.09484	Sterimol/B2: 4.67651	Sterimol/B3: 5.64132
Sterimol/B4: 5.65534	Sterimol/L: 16.7149

Surface and Volume Properties
Accessible surface: 592.834	Positive charged surface: 390.123	Negative charged surface: 202.711	Volume: 351.625
Hydrophobic surface: 523.261	Hydrophilic surface: 69.573

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.