MMsINC Database Search


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MMsINC code: MMs01455753

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O(c1ccccc1NCC(=O)N1CCCc2c1cccc2)c1ccccc1

InChI:

InChI=1/C23H22N2O2/c26-23(25-16-8-10-18-9-4-6-14-21(18)25)17-24-20-13-5-7-15-22(20)27-19-11-2-1-3-12-19/h1-7,9,11-15,24H,8,10,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.827 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.24013	SlogP: 4.87017	Reactive groups: 0

Topological Properties
Globularity: 0.0291489	Sterimol/B1: 3.32543	Sterimol/B2: 3.59826	Sterimol/B3: 3.60026
Sterimol/B4: 8.07529	Sterimol/L: 18.3355

Surface and Volume Properties
Accessible surface: 637.902	Positive charged surface: 396.549	Negative charged surface: 241.352	Volume: 354.875
Hydrophobic surface: 602.497	Hydrophilic surface: 35.405

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.