MMsINC Database Search


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MMsINC code: MMs00939776

Type: Neutral
Formula: C₂₄H₂₅FN₄O₂

SMILES:

Fc1ccc(-n2cc(c3c2ncnc3N(CCOC)CCOC)-c2ccccc2)cc1

InChI:

InChI=1/C24H25FN4O2/c1-30-14-12-28(13-15-31-2)23-22-21(18-6-4-3-5-7-18)16-29(24(22)27-17-26-23)20-10-8-19(25)9-11-20/h3-11,16-17H,12-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.642 kcal/mol

Physical Properties
Molecular Weight: 420.488 g/mol	logS: -6.77788	SlogP: 4.3258	Reactive groups: 0

Topological Properties
Globularity: 0.179996	Sterimol/B1: 2.04545	Sterimol/B2: 2.28484	Sterimol/B3: 6.8787
Sterimol/B4: 9.24555	Sterimol/L: 17.7297

Surface and Volume Properties
Accessible surface: 660.571	Positive charged surface: 478.173	Negative charged surface: 180.999	Volume: 407.125
Hydrophobic surface: 598.67	Hydrophilic surface: 61.901

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.