MMsINC Database Search


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MMsINC code: MMs00896847

Type: Neutral
Formula: C₂₀H₂₁ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C1N(Cc2ccc(cc2)C)C(=O)CC1

InChI:

InChI=1/C20H21ClN2O2/c1-14-6-8-15(9-7-14)13-23-18(10-11-19(23)24)20(25)22-12-16-4-2-3-5-17(16)21/h2-9,18H,10-13H2,1H3,(H,22,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7688 kcal/mol

Physical Properties
Molecular Weight: 356.853 g/mol	logS: -4.80623	SlogP: 3.98862	Reactive groups: 0

Topological Properties
Globularity: 0.0734821	Sterimol/B1: 2.63438	Sterimol/B2: 2.72623	Sterimol/B3: 4.75273
Sterimol/B4: 7.18214	Sterimol/L: 17.6203

Surface and Volume Properties
Accessible surface: 620.257	Positive charged surface: 344.539	Negative charged surface: 275.718	Volume: 344
Hydrophobic surface: 544.279	Hydrophilic surface: 75.978

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.