MMsINC Database Search


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MMsINC code: MMs01393615

Type: Neutral
Formula: C₁₇H₁₆ClFN₂O₂

SMILES:

Clc1ccc(cc1)CCNC(=O)CNC(=O)c1ccccc1F

InChI:

InChI=1/C17H16ClFN2O2/c18-13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)19/h1-8H,9-11H2,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.98 kcal/mol

Physical Properties
Molecular Weight: 334.778 g/mol	logS: -4.56222	SlogP: 2.56777	Reactive groups: 0

Topological Properties
Globularity: 0.0290221	Sterimol/B1: 2.55842	Sterimol/B2: 3.61821	Sterimol/B3: 3.61929
Sterimol/B4: 6.03053	Sterimol/L: 20.3909

Surface and Volume Properties
Accessible surface: 598.177	Positive charged surface: 308.87	Negative charged surface: 289.307	Volume: 304.25
Hydrophobic surface: 505.755	Hydrophilic surface: 92.422

Pharmacophoric Properties
Hydrogen bond donors: 2	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.