MMsINC Database Search


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MMsINC code: MMs00988265

Type: Neutral
Formula: C₂₁H₁₉ClN₂O₂

SMILES:

Clc1cc(ccc1OCC)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C21H19ClN2O2/c1-2-26-20-8-5-17(14-19(20)22)21(25)24-18-6-3-15(4-7-18)13-16-9-11-23-12-10-16/h3-12,14H,2,13H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.109 kcal/mol

Physical Properties
Molecular Weight: 366.848 g/mol	logS: -5.32499	SlogP: 4.97677	Reactive groups: 0

Topological Properties
Globularity: 0.0400534	Sterimol/B1: 3.70471	Sterimol/B2: 3.77212	Sterimol/B3: 4.2566
Sterimol/B4: 4.95337	Sterimol/L: 20.4276

Surface and Volume Properties
Accessible surface: 644.924	Positive charged surface: 393.99	Negative charged surface: 250.934	Volume: 351.625
Hydrophobic surface: 564.98	Hydrophilic surface: 79.944

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.