MMsINC Database Search


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MMsINC code: MMs01158758

Type: Neutral
Formula: C₁₈H₂₁FN₄O₂

SMILES:

Fc1ccccc1NC(=O)CCN(C(=O)c1ncc(nc1)C)CCC

InChI:

InChI=1/C18H21FN4O2/c1-3-9-23(18(25)16-12-20-13(2)11-21-16)10-8-17(24)22-15-7-5-4-6-14(15)19/h4-7,11-12H,3,8-10H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.063 kcal/mol

Physical Properties
Molecular Weight: 344.39 g/mol	logS: -2.07736	SlogP: 2.80512	Reactive groups: 0

Topological Properties
Globularity: 0.071389	Sterimol/B1: 2.34109	Sterimol/B2: 3.21546	Sterimol/B3: 3.94956
Sterimol/B4: 10.3759	Sterimol/L: 15.9105

Surface and Volume Properties
Accessible surface: 608.366	Positive charged surface: 406.057	Negative charged surface: 202.309	Volume: 328.125
Hydrophobic surface: 505.292	Hydrophilic surface: 103.074

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.