MMsINC Database Search


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MMsINC code: MMs02170998

Type: Neutral
Formula: C₂₀H₂₃FN₄O₂

SMILES:

Fc1ccc(N2CCN(CC2)C(=O)c2ccc(nc2)N2CCOCC2)cc1

InChI:

InChI=1/C20H23FN4O2/c21-17-2-4-18(5-3-17)23-7-9-25(10-8-23)20(26)16-1-6-19(22-15-16)24-11-13-27-14-12-24/h1-6,15H,7-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=211.465 kcal/mol

Physical Properties
Molecular Weight: 370.428 g/mol	logS: -2.8626	SlogP: 2.0197	Reactive groups: 0

Topological Properties
Globularity: 0.0439662	Sterimol/B1: 3.16552	Sterimol/B2: 3.44631	Sterimol/B3: 3.71362
Sterimol/B4: 7.08286	Sterimol/L: 19.0122

Surface and Volume Properties
Accessible surface: 622.826	Positive charged surface: 446.301	Negative charged surface: 176.525	Volume: 345.125
Hydrophobic surface: 541.045	Hydrophilic surface: 81.781

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.