MMsINC Database Search


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MMsINC code: MMs00173525

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1cccnc1

InChI:

InChI=1/C14H11FN2O3/c15-11-5-1-2-6-12(11)17-13(18)9-20-14(19)10-4-3-7-16-8-10/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4492 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -2.79988	SlogP: 2.0162	Reactive groups: 0

Topological Properties
Globularity: 0.00915168	Sterimol/B1: 2.26938	Sterimol/B2: 2.52554	Sterimol/B3: 2.87005
Sterimol/B4: 5.63392	Sterimol/L: 16.8435

Surface and Volume Properties
Accessible surface: 498.703	Positive charged surface: 302.583	Negative charged surface: 196.12	Volume: 243.875
Hydrophobic surface: 401.207	Hydrophilic surface: 97.496

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.