MMsINC Database Search


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MMsINC code: MMs02737613

Type: Neutral
Formula: C₂₅H₂₄N₂O

SMILES:

O=C(Nc1ccc(cc1)C)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C25H24N2O/c1-17-9-12-22(13-10-17)26-25(28)21-11-14-24-23(15-21)18(2)19(3)27(24)16-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.216 kcal/mol

Physical Properties
Molecular Weight: 368.48 g/mol	logS: -6.25446	SlogP: 6.13356	Reactive groups: 0

Topological Properties
Globularity: 0.0525628	Sterimol/B1: 3.30559	Sterimol/B2: 4.37678	Sterimol/B3: 5.49878
Sterimol/B4: 6.23993	Sterimol/L: 19.3129

Surface and Volume Properties
Accessible surface: 666.185	Positive charged surface: 378.807	Negative charged surface: 282.208	Volume: 382.625
Hydrophobic surface: 614.53	Hydrophilic surface: 51.655

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.