MMsINC Database Search


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MMsINC code: MMs01256328

Type: Neutral
Formula: C₂₅H₂₂N₂O₃

SMILES:

O=C1N(CC(=O)c2ccc(cc2C)C)C(=O)NC1(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H22N2O3/c1-17-13-14-21(18(2)15-17)22(28)16-27-23(29)25(26-24(27)30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3,(H,26,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.167 kcal/mol

Physical Properties
Molecular Weight: 398.462 g/mol	logS: -6.61738	SlogP: 4.29324	Reactive groups: 0

Topological Properties
Globularity: 0.0873055	Sterimol/B1: 3.67374	Sterimol/B2: 4.20547	Sterimol/B3: 5.16431
Sterimol/B4: 7.14977	Sterimol/L: 17.5737

Surface and Volume Properties
Accessible surface: 667.916	Positive charged surface: 367.074	Negative charged surface: 300.843	Volume: 387.625
Hydrophobic surface: 582.819	Hydrophilic surface: 85.097

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.