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MMsINC code: MMs03218575

Type: Neutral
Formula: C₁₁H₁₄FN₅O₂

SMILES:

FC1C(O)C(n2c3ncnc(N)c3nc2)CC1CO

InChI:

InChI=1/C11H14FN5O2/c12-7-5(2-18)1-6(9(7)19)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,9,18-19H,1-2H2,(H2,13,14,15)/t5-,6-,7-,9+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9736 kcal/mol

Physical Properties
Molecular Weight: 267.264 g/mol	logS: -1.74364	SlogP: 0.1762	Reactive groups: 0

Topological Properties
Globularity: 0.112252	Sterimol/B1: 2.18182	Sterimol/B2: 2.53705	Sterimol/B3: 4.82234
Sterimol/B4: 4.83267	Sterimol/L: 14.7505

Surface and Volume Properties
Accessible surface: 462.582	Positive charged surface: 346.62	Negative charged surface: 115.961	Volume: 230.375
Hydrophobic surface: 181.673	Hydrophilic surface: 280.909

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.