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MMsINC code: MMs02321187

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)C2(CCN(CC2)C)C1c1ccccc1

InChI:

InChI=1/C22H24N2O2/c1-23-14-12-22(13-15-23)19(18-10-6-3-7-11-18)20(25)24(21(22)26)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2988 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -3.74641	SlogP: 3.3176	Reactive groups: 0

Topological Properties
Globularity: 0.264109	Sterimol/B1: 2.38598	Sterimol/B2: 2.50267	Sterimol/B3: 5.69357
Sterimol/B4: 9.05965	Sterimol/L: 13.7069

Surface and Volume Properties
Accessible surface: 575.959	Positive charged surface: 393.03	Negative charged surface: 182.929	Volume: 346.875
Hydrophobic surface: 524.966	Hydrophilic surface: 50.993

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02321188
NCID-ZINC01688573