MMsINC Database Search


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MMsINC code: MMs02614515

Type: Neutral
Formula: C₂₄H₂₀FN₃

SMILES:

Fc1ccc(cc1)-c1nc(nc(NCCc2ccccc2)c1)-c1ccccc1

InChI:

InChI=1/C24H20FN3/c25-21-13-11-19(12-14-21)22-17-23(26-16-15-18-7-3-1-4-8-18)28-24(27-22)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4684 kcal/mol

Physical Properties
Molecular Weight: 369.443 g/mol	logS: -7.60065	SlogP: 5.60427	Reactive groups: 0

Topological Properties
Globularity: 0.0315156	Sterimol/B1: 3.6174	Sterimol/B2: 3.61751	Sterimol/B3: 6.03671
Sterimol/B4: 8.3791	Sterimol/L: 18.2987

Surface and Volume Properties
Accessible surface: 683.639	Positive charged surface: 361.927	Negative charged surface: 309.241	Volume: 370.25
Hydrophobic surface: 622.273	Hydrophilic surface: 61.366

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.