MMsINC Database Search


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MMsINC code: MMs00848075

Type: Neutral
Formula: C₁₅H₁₀ClFN₂O₃

SMILES:

Clc1cc2OC(=O)N(c2cc1)CC(=O)Nc1ccccc1F

InChI:

InChI=1/C15H10ClFN2O3/c16-9-5-6-12-13(7-9)22-15(21)19(12)8-14(20)18-11-4-2-1-3-10(11)17/h1-7H,8H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3588 kcal/mol

Physical Properties
Molecular Weight: 320.707 g/mol	logS: -5.08207	SlogP: 3.4366	Reactive groups: 0

Topological Properties
Globularity: 0.122146	Sterimol/B1: 2.45137	Sterimol/B2: 4.6204	Sterimol/B3: 4.88349
Sterimol/B4: 5.37961	Sterimol/L: 15.6767

Surface and Volume Properties
Accessible surface: 512.806	Positive charged surface: 237.579	Negative charged surface: 275.228	Volume: 265.75
Hydrophobic surface: 409.173	Hydrophilic surface: 103.633

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.