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MMsINC code: MMs01437132

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN(C(C(=O)Nc1ccc(cc1)C(=O)C)C)C

InChI:

InChI=1/C19H20ClFN2O2/c1-12(23(3)11-16-17(20)5-4-6-18(16)21)19(25)22-15-9-7-14(8-10-15)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.733 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -4.92151	SlogP: 4.4071	Reactive groups: 0

Topological Properties
Globularity: 0.0538784	Sterimol/B1: 2.16533	Sterimol/B2: 3.98351	Sterimol/B3: 4.11328
Sterimol/B4: 7.14406	Sterimol/L: 17.7024

Surface and Volume Properties
Accessible surface: 597.34	Positive charged surface: 325.239	Negative charged surface: 272.101	Volume: 332.125
Hydrophobic surface: 503.495	Hydrophilic surface: 93.845

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

MMs01437133
ENAMINE-ZINC03430335