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MMsINC code: MMs00561577

Type: Neutral
Formula: C₁₄H₁₁FN₄O₃

SMILES:

Fc1ccccc1C1N(C(=O)C(=O)C1C(=O)C)c1nc[nH]n1

InChI:

InChI=1/C14H11FN4O3/c1-7(20)10-11(8-4-2-3-5-9(8)15)19(13(22)12(10)21)14-16-6-17-18-14/h2-6,10-11H,1H3,(H,16,17,18)/t10-,11-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.4491 kcal/mol

Physical Properties
Molecular Weight: 302.265 g/mol	logS: -3.31948	SlogP: 0.9015	Reactive groups: 0

Topological Properties
Globularity: 0.184067	Sterimol/B1: 3.13667	Sterimol/B2: 4.07886	Sterimol/B3: 4.23251
Sterimol/B4: 6.61296	Sterimol/L: 12.6106

Surface and Volume Properties
Accessible surface: 482.335	Positive charged surface: 265.408	Negative charged surface: 216.927	Volume: 253.5
Hydrophobic surface: 312.018	Hydrophilic surface: 170.317

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00561578
CHEMBLOCK-ZINC04606998