MMsINC Database Search


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MMsINC code: MMs00986155

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

o1nc(nc1CN(C(=O)c1ccc(cc1)C(C)(C)C)C(C)C)-c1ccccc1

InChI:

InChI=1/C23H27N3O2/c1-16(2)26(22(27)18-11-13-19(14-12-18)23(3,4)5)15-20-24-21(25-28-20)17-9-7-6-8-10-17/h6-14,16H,15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=295.079 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -7.66577	SlogP: 5.3513	Reactive groups: 0

Topological Properties
Globularity: 0.129751	Sterimol/B1: 2.3648	Sterimol/B2: 3.76991	Sterimol/B3: 4.51476
Sterimol/B4: 9.20275	Sterimol/L: 15.4448

Surface and Volume Properties
Accessible surface: 650.633	Positive charged surface: 394.065	Negative charged surface: 256.568	Volume: 379.25
Hydrophobic surface: 491.939	Hydrophilic surface: 158.694

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

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Ions/Tautomers related molecules: no related molecules available.