MMsINC Database Search


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MMsINC code: MMs03276689

Type: Neutral
Formula: C₁₉H₃₁ClN₂O

SMILES:

Clc1cc(NC(=O)N(CCCCCC)CCCCCC)ccc1

InChI:

InChI=1/C19H31ClN2O/c1-3-5-7-9-14-22(15-10-8-6-4-2)19(23)21-18-13-11-12-17(20)16-18/h11-13,16H,3-10,14-15H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.9856 kcal/mol

Physical Properties
Molecular Weight: 338.923 g/mol	logS: -6.20577	SlogP: 6.3345	Reactive groups: 0

Topological Properties
Globularity: 0.0701168	Sterimol/B1: 2.13994	Sterimol/B2: 4.19857	Sterimol/B3: 4.21867
Sterimol/B4: 12.6905	Sterimol/L: 17.7776

Surface and Volume Properties
Accessible surface: 696.244	Positive charged surface: 471.194	Negative charged surface: 225.05	Volume: 362.25
Hydrophobic surface: 626.203	Hydrophilic surface: 70.041

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.