MMsINC Database Search


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MMsINC code: MMs01751597

Type: Neutral
Formula: C₁₅H₁₁FN₄O

SMILES:

Fc1cc2c3ncnc(NCc4occc4)c3[nH]c2cc1

InChI:

InChI=1/C15H11FN4O/c16-9-3-4-12-11(6-9)13-14(20-12)15(19-8-18-13)17-7-10-2-1-5-21-10/h1-6,8,20H,7H2,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.518 kcal/mol

Physical Properties
Molecular Weight: 282.278 g/mol	logS: -4.31529	SlogP: 3.7217	Reactive groups: 0

Topological Properties
Globularity: 0.02697	Sterimol/B1: 2.99776	Sterimol/B2: 3.22881	Sterimol/B3: 3.50438
Sterimol/B4: 7.04636	Sterimol/L: 15.9155

Surface and Volume Properties
Accessible surface: 504.815	Positive charged surface: 278.104	Negative charged surface: 221.582	Volume: 252.625
Hydrophobic surface: 387.273	Hydrophilic surface: 117.542

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.