MMsINC Database Search


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MMsINC code: MMs00975631

Type: Neutral
Formula: C₂₄H₁₈FN₃

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1)-c1ccccc1)-c1cccc(C)c1C

InChI:

InChI=1/C24H18FN3/c1-15-7-6-10-22(16(15)2)28-24-19-13-18(25)11-12-21(19)26-14-20(24)23(27-28)17-8-4-3-5-9-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.235 kcal/mol

Physical Properties
Molecular Weight: 367.427 g/mol	logS: -7.29856	SlogP: 5.99664	Reactive groups: 0

Topological Properties
Globularity: 0.113656	Sterimol/B1: 2.54481	Sterimol/B2: 2.75712	Sterimol/B3: 5.89839
Sterimol/B4: 9.56154	Sterimol/L: 15.426

Surface and Volume Properties
Accessible surface: 604.213	Positive charged surface: 331.138	Negative charged surface: 265.182	Volume: 356.125
Hydrophobic surface: 570.854	Hydrophilic surface: 33.359

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.