MMsINC Database Search


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MMsINC code: MMs00575463

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

o1c2c(nc1C1CCN(CC1)C(=O)CC1CCc3c1cccc3)cccc2

InChI:

InChI=1/C23H24N2O2/c26-22(15-18-10-9-16-5-1-2-6-19(16)18)25-13-11-17(12-14-25)23-24-20-7-3-4-8-21(20)27-23/h1-8,17-18H,9-15H2/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.145 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.97365	SlogP: 4.65387	Reactive groups: 0

Topological Properties
Globularity: 0.0814713	Sterimol/B1: 2.99934	Sterimol/B2: 3.42327	Sterimol/B3: 5.74422
Sterimol/B4: 6.18607	Sterimol/L: 19.544

Surface and Volume Properties
Accessible surface: 645.585	Positive charged surface: 429.322	Negative charged surface: 216.263	Volume: 358.375
Hydrophobic surface: 590.38	Hydrophilic surface: 55.205

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.