MMsINC Database Search


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MMsINC code: MMs01149921

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

o1cccc1CN(Cc1n(ccc1)C)C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H24N2O2/c1-26-16-8-14-22(26)18-27(19-23-15-9-17-29-23)25(28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,24H,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.4 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -4.90647	SlogP: 5.871	Reactive groups: 0

Topological Properties
Globularity: 0.187942	Sterimol/B1: 3.25715	Sterimol/B2: 5.09382	Sterimol/B3: 6.09458
Sterimol/B4: 8.45156	Sterimol/L: 14.2433

Surface and Volume Properties
Accessible surface: 633.053	Positive charged surface: 376.436	Negative charged surface: 256.617	Volume: 388.625
Hydrophobic surface: 582.599	Hydrophilic surface: 50.454

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.