MMsINC Database Search


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MMsINC code: MMs00342933

Type: Neutral
Formula: C₁₆H₂₃ClN₂O₂

SMILES:

Clc1ccc(cc1)CCNC(=O)C(=O)NCCCCCC

InChI:

InChI=1/C16H23ClN2O2/c1-2-3-4-5-11-18-15(20)16(21)19-12-10-13-6-8-14(17)9-7-13/h6-9H,2-5,10-12H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3639 kcal/mol

Physical Properties
Molecular Weight: 310.825 g/mol	logS: -4.57398	SlogP: 2.69517	Reactive groups: 0

Topological Properties
Globularity: 0.0243293	Sterimol/B1: 3.01305	Sterimol/B2: 3.61935	Sterimol/B3: 3.62236
Sterimol/B4: 4.56079	Sterimol/L: 23.186

Surface and Volume Properties
Accessible surface: 631.362	Positive charged surface: 394.432	Negative charged surface: 236.93	Volume: 310.125
Hydrophobic surface: 501.346	Hydrophilic surface: 130.016

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.