MMsINC Database Search


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MMsINC code: MMs02763788

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)N1C2CCCc3c2n(CC1)c1c3cc(cc1)C

InChI:

InChI=1/C23H24N2O2/c1-15-6-11-20-19(14-15)18-4-3-5-21-22(18)24(20)12-13-25(21)23(26)16-7-9-17(27-2)10-8-16/h6-11,14,21H,3-5,12-13H2,1-2H3/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.079 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.7903	SlogP: 4.85359	Reactive groups: 0

Topological Properties
Globularity: 0.0319577	Sterimol/B1: 2.59551	Sterimol/B2: 3.33879	Sterimol/B3: 4.34435
Sterimol/B4: 7.53569	Sterimol/L: 18.9878

Surface and Volume Properties
Accessible surface: 607.547	Positive charged surface: 426.211	Negative charged surface: 176.059	Volume: 356.125
Hydrophobic surface: 571.623	Hydrophilic surface: 35.924

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.