MMsINC Database Search


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MMsINC code: MMs00938352

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(cc3)C(C)(C)C)c(cc1)C)cccc2

InChI:

InChI=1/C25H24N2O2/c1-16-9-10-18(24-27-20-7-5-6-8-22(20)29-24)15-21(16)26-23(28)17-11-13-19(14-12-17)25(2,3)4/h5-15H,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.42 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -8.85059	SlogP: 6.35302	Reactive groups: 0

Topological Properties
Globularity: 0.0203751	Sterimol/B1: 2.33326	Sterimol/B2: 3.28035	Sterimol/B3: 3.54504
Sterimol/B4: 10.4557	Sterimol/L: 20.0259

Surface and Volume Properties
Accessible surface: 687.381	Positive charged surface: 407.673	Negative charged surface: 279.708	Volume: 387
Hydrophobic surface: 568.997	Hydrophilic surface: 118.384

Pharmacophoric Properties
Hydrogen bond donors: 1	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.