MMsINC Database Search


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MMsINC code: MMs03758354

Type: Neutral
Formula: C₁₉H₂₀FN₅O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CCN(CC1)c1ncccc1NC

InChI:

InChI=1/C19H20FN5O/c1-21-16-3-2-6-22-18(16)24-7-9-25(10-8-24)19(26)17-12-13-11-14(20)4-5-15(13)23-17/h2-6,11-12,21,23H,7-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.456 kcal/mol

Physical Properties
Molecular Weight: 353.401 g/mol	logS: -2.88299	SlogP: 2.7061	Reactive groups: 0

Topological Properties
Globularity: 0.0955769	Sterimol/B1: 2.16285	Sterimol/B2: 3.00974	Sterimol/B3: 5.81491
Sterimol/B4: 6.83834	Sterimol/L: 17.2993

Surface and Volume Properties
Accessible surface: 601.966	Positive charged surface: 415.382	Negative charged surface: 181.329	Volume: 330.375
Hydrophobic surface: 524.692	Hydrophilic surface: 77.274

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.