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MMsINC code: MMs01160448

Type: Neutral
Formula: C₂₃H₂₇FN₂O₂

SMILES:

Fc1ccccc1Cn1cccc1CN(Cc1ccccc1)CC(O)COC

InChI:

InChI=1/C23H27FN2O2/c1-28-18-22(27)17-25(14-19-8-3-2-4-9-19)16-21-11-7-13-26(21)15-20-10-5-6-12-23(20)24/h2-13,22,27H,14-18H2,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9536 kcal/mol

Physical Properties
Molecular Weight: 382.479 g/mol	logS: -3.51736	SlogP: 4.4842	Reactive groups: 0

Topological Properties
Globularity: 0.119528	Sterimol/B1: 3.41067	Sterimol/B2: 3.59367	Sterimol/B3: 4.99744
Sterimol/B4: 8.62772	Sterimol/L: 17.4775

Surface and Volume Properties
Accessible surface: 654.123	Positive charged surface: 436.614	Negative charged surface: 217.509	Volume: 384.5
Hydrophobic surface: 582.738	Hydrophilic surface: 71.385

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01160449
COMGENEX-ZINC04781900