MMsINC Database Search


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MMsINC code: MMs02610251

Type: Neutral
Formula: C₂₄H₂₁FN₄

SMILES:

Fc1ccc(cc1)-c1cc(cnc1)-c1nc(nc(N(Cc2ccccc2)C)c1)C

InChI:

InChI=1/C24H21FN4/c1-17-27-23(13-24(28-17)29(2)16-18-6-4-3-5-7-18)21-12-20(14-26-15-21)19-8-10-22(25)11-9-19/h3-15H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6329 kcal/mol

Physical Properties
Molecular Weight: 384.458 g/mol	logS: -6.145	SlogP: 5.55592	Reactive groups: 0

Topological Properties
Globularity: 0.0629087	Sterimol/B1: 2.00328	Sterimol/B2: 2.2006	Sterimol/B3: 6.15377
Sterimol/B4: 7.98939	Sterimol/L: 19.1031

Surface and Volume Properties
Accessible surface: 666.16	Positive charged surface: 395.469	Negative charged surface: 254.478	Volume: 379.875
Hydrophobic surface: 611.586	Hydrophilic surface: 54.574

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.