MMsINC Database Search


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MMsINC code: MMs02802376

Type: Neutral
Formula: C₁₉H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C(C(=O)NC2CCCCC2)(C)C)C(=O)C1

InChI:

InChI=1/C19H25FN2O2/c1-19(2,18(24)21-15-6-4-3-5-7-15)22-16(12-17(22)23)13-8-10-14(20)11-9-13/h8-11,15-16H,3-7,12H2,1-2H3,(H,21,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1119 kcal/mol

Physical Properties
Molecular Weight: 332.419 g/mol	logS: -4.04889	SlogP: 3.4221	Reactive groups: 0

Topological Properties
Globularity: 0.116425	Sterimol/B1: 2.88204	Sterimol/B2: 3.38725	Sterimol/B3: 5.33389
Sterimol/B4: 6.24781	Sterimol/L: 16.9729

Surface and Volume Properties
Accessible surface: 576.07	Positive charged surface: 334.137	Negative charged surface: 197.642	Volume: 328.625
Hydrophobic surface: 492.551	Hydrophilic surface: 83.519

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.