MMsINC Database Search


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MMsINC code: MMs00481653

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(Cc2c1cccc2)C(C(=O)NCCc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H22N2O2/c27-23(25-16-15-18-9-3-1-4-10-18)22(19-11-5-2-6-12-19)26-17-20-13-7-8-14-21(20)24(26)28/h1-14,22H,15-17H2,(H,25,27)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.917 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.31726	SlogP: 4.10447	Reactive groups: 0

Topological Properties
Globularity: 0.103185	Sterimol/B1: 2.96877	Sterimol/B2: 3.41547	Sterimol/B3: 5.14786
Sterimol/B4: 8.69339	Sterimol/L: 18.2354

Surface and Volume Properties
Accessible surface: 673.136	Positive charged surface: 383.436	Negative charged surface: 289.701	Volume: 373.125
Hydrophobic surface: 601.74	Hydrophilic surface: 71.396

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.