MMsINC Database Search


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MMsINC code: MMs02215367

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(C(CCc1ncccc1)(CCc1ncccc1)C)c1ccccc1

InChI:

InChI=1/C23H24N2O/c1-23(15-13-20-11-5-7-17-24-20,16-14-21-12-6-8-18-25-21)22(26)19-9-3-2-4-10-19/h2-12,17-18H,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.557 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -3.49988	SlogP: 4.93114	Reactive groups: 0

Topological Properties
Globularity: 0.166377	Sterimol/B1: 2.57397	Sterimol/B2: 2.68179	Sterimol/B3: 6.14143
Sterimol/B4: 8.55479	Sterimol/L: 16.5585

Surface and Volume Properties
Accessible surface: 627.153	Positive charged surface: 395.918	Negative charged surface: 231.235	Volume: 357.5
Hydrophobic surface: 582.673	Hydrophilic surface: 44.48

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.