MMsINC Database Search


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MMsINC code: MMs01335468

Type: Neutral
Formula: C₁₆H₁₉ClN₂O₂

SMILES:

Clc1cc(ccc1)CN1C(=O)C2(NC1=O)CCCCCC2

InChI:

InChI=1/C16H19ClN2O2/c17-13-7-5-6-12(10-13)11-19-14(20)16(18-15(19)21)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4318 kcal/mol

Physical Properties
Molecular Weight: 306.793 g/mol	logS: -4.52304	SlogP: 3.7512	Reactive groups: 0

Topological Properties
Globularity: 0.12417	Sterimol/B1: 2.43904	Sterimol/B2: 4.07922	Sterimol/B3: 4.82346
Sterimol/B4: 5.24631	Sterimol/L: 14.0736

Surface and Volume Properties
Accessible surface: 511.934	Positive charged surface: 292.31	Negative charged surface: 219.624	Volume: 282.75
Hydrophobic surface: 431.955	Hydrophilic surface: 79.979

Pharmacophoric Properties
Hydrogen bond donors: 1	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.