MMsINC Database Search


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MMsINC code: MMs01122702

Type: Neutral
Formula: C₁₉H₂₂FN₃O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(NC(=O)CC)ccc1N(C)C

InChI:

InChI=1/C19H22FN3O2/c1-4-18(24)22-15-9-10-17(23(2)3)16(11-15)19(25)21-12-13-5-7-14(20)8-6-13/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.222 kcal/mol

Physical Properties
Molecular Weight: 343.402 g/mol	logS: -3.93252	SlogP: 3.4366	Reactive groups: 0

Topological Properties
Globularity: 0.0955157	Sterimol/B1: 2.42861	Sterimol/B2: 3.20164	Sterimol/B3: 4.26563
Sterimol/B4: 9.74819	Sterimol/L: 15.0067

Surface and Volume Properties
Accessible surface: 631.406	Positive charged surface: 433.909	Negative charged surface: 197.497	Volume: 334.625
Hydrophobic surface: 534.804	Hydrophilic surface: 96.602

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.