MMsINC Database Search


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MMsINC code: MMs00962966

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(c2cc(cc(c2)C)C)C(=O)N(c2c1cccc2)Cc1ccccc1C

InChI:

InChI=1/C24H22N2O2/c1-16-12-17(2)14-20(13-16)26-23(27)21-10-6-7-11-22(21)25(24(26)28)15-19-9-5-4-8-18(19)3/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.79 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.73944	SlogP: 5.66526	Reactive groups: 0

Topological Properties
Globularity: 0.183215	Sterimol/B1: 2.35456	Sterimol/B2: 3.20382	Sterimol/B3: 6.49175
Sterimol/B4: 8.43928	Sterimol/L: 14.7076

Surface and Volume Properties
Accessible surface: 633.13	Positive charged surface: 366.939	Negative charged surface: 266.191	Volume: 367.25
Hydrophobic surface: 576.352	Hydrophilic surface: 56.778

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.