MMsINC Database Search


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MMsINC code: MMs01371321

Type: Neutral
Formula: C₂₄H₂₂N₄O₂

SMILES:

O(C)c1cc2CCN(Cc2cc1OC)c1nc(nc2c1cccc2)-c1cccnc1

InChI:

InChI=1/C24H22N4O2/c1-29-21-12-16-9-11-28(15-18(16)13-22(21)30-2)24-19-7-3-4-8-20(19)26-23(27-24)17-6-5-10-25-14-17/h3-8,10,12-14H,9,11,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.332 kcal/mol

Physical Properties
Molecular Weight: 398.466 g/mol	logS: -5.85314	SlogP: 4.53807	Reactive groups: 0

Topological Properties
Globularity: 0.147606	Sterimol/B1: 2.76294	Sterimol/B2: 6.2725	Sterimol/B3: 6.87933
Sterimol/B4: 7.19573	Sterimol/L: 17.9631

Surface and Volume Properties
Accessible surface: 682.418	Positive charged surface: 493.245	Negative charged surface: 179.106	Volume: 387.5
Hydrophobic surface: 614.327	Hydrophilic surface: 68.091

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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: 0

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Ions/Tautomers related molecules: no related molecules available.