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MMsINC code: MMs00915636

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₃

SMILES:

Clc1cc(NC(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)ccc1F

InChI:

InChI=1/C18H14ClFN2O3/c1-22-15-5-3-2-4-11(15)12(17(22)18(24)25)9-16(23)21-10-6-7-14(20)13(19)8-10/h2-8H,9H2,1H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.829 kcal/mol

Physical Properties
Molecular Weight: 360.772 g/mol	logS: -4.75184	SlogP: 4.20937	Reactive groups: 0

Topological Properties
Globularity: 0.116822	Sterimol/B1: 3.39057	Sterimol/B2: 4.13473	Sterimol/B3: 4.62187
Sterimol/B4: 7.52297	Sterimol/L: 15.6046

Surface and Volume Properties
Accessible surface: 577.207	Positive charged surface: 305.856	Negative charged surface: 268.013	Volume: 309.25
Hydrophobic surface: 464.126	Hydrophilic surface: 113.081

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00915637
CHEMDIV-ZINC03660266