MMsINC Database Search


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MMsINC code: MMs00910184

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(C(=O)c2c3c1ccc(N1CCCCC1)c3ccc2)c1ccc(cc1)C

InChI:

InChI=1/C24H22N2O2/c1-16-8-10-17(11-9-16)26-23(27)19-7-5-6-18-21(25-14-3-2-4-15-25)13-12-20(22(18)19)24(26)28/h5-13H,2-4,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.908 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.79195	SlogP: 4.93912	Reactive groups: 0

Topological Properties
Globularity: 0.0486472	Sterimol/B1: 3.51159	Sterimol/B2: 3.6294	Sterimol/B3: 3.63692
Sterimol/B4: 6.47203	Sterimol/L: 19.315

Surface and Volume Properties
Accessible surface: 628.188	Positive charged surface: 396.042	Negative charged surface: 223.753	Volume: 363.25
Hydrophobic surface: 560.055	Hydrophilic surface: 68.133

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: 0

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Ions/Tautomers related molecules: no related molecules available.