MMsINC Database Search


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MMsINC code: MMs01665755

Type: Neutral
Formula: C₂₀H₂₇FN₄O₃

SMILES:

Fc1ccccc1CC(=O)N(CC(C)C)C=1C(=O)NC(=O)N(CC(C)C)C=1N

InChI:

InChI=1/C20H27FN4O3/c1-12(2)10-24(16(26)9-14-7-5-6-8-15(14)21)17-18(22)25(11-13(3)4)20(28)23-19(17)27/h5-8,12-13H,9-11,22H2,1-4H3,(H,23,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6184 kcal/mol

Physical Properties
Molecular Weight: 390.459 g/mol	logS: -4.07116	SlogP: 2.18837	Reactive groups: 0

Topological Properties
Globularity: 0.157824	Sterimol/B1: 3.68113	Sterimol/B2: 4.07543	Sterimol/B3: 4.62274
Sterimol/B4: 8.44674	Sterimol/L: 15.6673

Surface and Volume Properties
Accessible surface: 633.633	Positive charged surface: 398.399	Negative charged surface: 235.234	Volume: 370.125
Hydrophobic surface: 426.759	Hydrophilic surface: 206.874

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.