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MMsINC code: MMs00518833

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O(C)c1cc2c([nH]c(C)c2CCN2C(C)=C(c3ccccc3)C(=O)N=C2C)cc1

InChI:

InChI=1/C24H25N3O2/c1-15-20(21-14-19(29-4)10-11-22(21)25-15)12-13-27-16(2)23(24(28)26-17(27)3)18-8-6-5-7-9-18/h5-11,14,25H,12-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.625 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -5.13466	SlogP: 4.71919	Reactive groups: 0

Topological Properties
Globularity: 0.0522631	Sterimol/B1: 2.71257	Sterimol/B2: 3.27863	Sterimol/B3: 3.97222
Sterimol/B4: 10.7875	Sterimol/L: 15.9282

Surface and Volume Properties
Accessible surface: 654.212	Positive charged surface: 410.121	Negative charged surface: 240.147	Volume: 388.125
Hydrophobic surface: 543.385	Hydrophilic surface: 110.827

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.