MMsINC Database Search


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MMsINC code: MMs00638801

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

o1nc(-c2ccccc2)c(C(=O)N2CCC(CC2)Cc2ccccc2)c1C

InChI:

InChI=1/C23H24N2O2/c1-17-21(22(24-27-17)20-10-6-3-7-11-20)23(26)25-14-12-19(13-15-25)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3917 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.55147	SlogP: 4.74489	Reactive groups: 0

Topological Properties
Globularity: 0.171031	Sterimol/B1: 2.42602	Sterimol/B2: 4.20309	Sterimol/B3: 5.2574
Sterimol/B4: 9.22425	Sterimol/L: 16.1773

Surface and Volume Properties
Accessible surface: 620.891	Positive charged surface: 352.461	Negative charged surface: 268.43	Volume: 364.875
Hydrophobic surface: 568.15	Hydrophilic surface: 52.741

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