MMsINC Database Search


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MMsINC code: MMs00842157

Type: Neutral
Formula: C₂₀H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(CCC)C(=O)CN(C1=O)C1CCC(CC1)C

InChI:

InChI=1/C20H27FN2O2/c1-3-12-22-18(24)13-23(17-10-4-14(2)5-11-17)20(25)19(22)15-6-8-16(21)9-7-15/h6-9,14,17,19H,3-5,10-13H2,1-2H3/t14-,17-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.963 kcal/mol

Physical Properties
Molecular Weight: 346.446 g/mol	logS: -4.45076	SlogP: 3.6218	Reactive groups: 0

Topological Properties
Globularity: 0.123788	Sterimol/B1: 2.42645	Sterimol/B2: 3.1977	Sterimol/B3: 4.84702
Sterimol/B4: 9.76694	Sterimol/L: 15.218

Surface and Volume Properties
Accessible surface: 597.792	Positive charged surface: 400.304	Negative charged surface: 197.488	Volume: 344.25
Hydrophobic surface: 506.057	Hydrophilic surface: 91.735

Pharmacophoric Properties
Hydrogen bond donors: 0	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.