MMsINC Database Search


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MMsINC code: MMs00200965

Type: Neutral
Formula: C₁₈H₁₃ClF₂N₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(F)c(cc1)C

InChI:

InChI=1/C18H13ClF2N2O2/c1-9-6-7-11(8-14(9)21)22-18(24)15-10(2)25-23-17(15)16-12(19)4-3-5-13(16)20/h3-8H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3579 kcal/mol

Physical Properties
Molecular Weight: 362.763 g/mol	logS: -6.19451	SlogP: 5.14234	Reactive groups: 0

Topological Properties
Globularity: 0.10574	Sterimol/B1: 3.5976	Sterimol/B2: 4.10518	Sterimol/B3: 5.16224
Sterimol/B4: 7.36059	Sterimol/L: 14.4807

Surface and Volume Properties
Accessible surface: 578.989	Positive charged surface: 265.331	Negative charged surface: 313.658	Volume: 310.125
Hydrophobic surface: 533.309	Hydrophilic surface: 45.68

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.