MMsINC Database Search


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MMsINC code: MMs02550465

Type: Neutral
Formula: C₈H₁₀ClFN₂O

SMILES:

ClNC(N)COc1ccc(F)cc1

InChI:

InChI=1/C8H10ClFN2O/c9-12-8(11)5-13-7-3-1-6(10)2-4-7/h1-4,8,12H,5,11H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7935 kcal/mol

Physical Properties
Molecular Weight: 204.632 g/mol	logS: -1.7649	SlogP: 1.2327	Reactive groups: 0

Topological Properties
Globularity: 0.0802023	Sterimol/B1: 2.49145	Sterimol/B2: 3.2393	Sterimol/B3: 3.31154
Sterimol/B4: 5.02326	Sterimol/L: 11.8053

Surface and Volume Properties
Accessible surface: 376.792	Positive charged surface: 202.186	Negative charged surface: 174.605	Volume: 175.375
Hydrophobic surface: 288.181	Hydrophilic surface: 88.611

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02550466
OAKWOOD-ZINC04255998