MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02003729

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C16H15ClN2O2/c1-11-6-8-13(9-7-11)19-16(21)15(20)18-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3717 kcal/mol

Physical Properties
Molecular Weight: 302.761 g/mol	logS: -4.73565	SlogP: 3.16972	Reactive groups: 0

Topological Properties
Globularity: 0.0373432	Sterimol/B1: 2.7527	Sterimol/B2: 3.28427	Sterimol/B3: 4.80423
Sterimol/B4: 5.38702	Sterimol/L: 17.6318

Surface and Volume Properties
Accessible surface: 556.516	Positive charged surface: 291.686	Negative charged surface: 264.83	Volume: 282.25
Hydrophobic surface: 457.575	Hydrophilic surface: 98.941

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.