MMsINC Database Search


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MMsINC code: MMs00419956

Type: Neutral
Formula: C₁₉H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)CCN1CC(CC1=O)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H25FN2O2/c20-16-8-6-14(7-9-16)10-11-22-13-15(12-18(22)23)19(24)21-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H,21,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0107 kcal/mol

Physical Properties
Molecular Weight: 332.419 g/mol	logS: -3.21242	SlogP: 2.66557	Reactive groups: 0

Topological Properties
Globularity: 0.032072	Sterimol/B1: 2.80606	Sterimol/B2: 3.36012	Sterimol/B3: 3.82096
Sterimol/B4: 6.30307	Sterimol/L: 20.0669

Surface and Volume Properties
Accessible surface: 613.593	Positive charged surface: 416.917	Negative charged surface: 196.676	Volume: 327.25
Hydrophobic surface: 542.164	Hydrophilic surface: 71.429

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.