MMsINC Database Search


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MMsINC code: MMs01698427

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)CCNC(=O)c2occc2)ccc1C

InChI:

InChI=1/C15H15ClN2O3/c1-10-4-5-11(9-12(10)16)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1196 kcal/mol

Physical Properties
Molecular Weight: 306.749 g/mol	logS: -4.05569	SlogP: 3.00002	Reactive groups: 0

Topological Properties
Globularity: 0.0115548	Sterimol/B1: 2.69789	Sterimol/B2: 2.83245	Sterimol/B3: 2.91306
Sterimol/B4: 4.89408	Sterimol/L: 19.3037

Surface and Volume Properties
Accessible surface: 565.271	Positive charged surface: 303.039	Negative charged surface: 262.232	Volume: 278.125
Hydrophobic surface: 462.118	Hydrophilic surface: 103.153

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.