MMsINC Database Search


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MMsINC code: MMs03691652

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₂

SMILES:

Clc1cc2c(NC(=O)N(C)C2(O)c2ccccc2)cc1

InChI:

InChI=1/C15H13ClN2O2/c1-18-14(19)17-13-8-7-11(16)9-12(13)15(18,20)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,17,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.6164 kcal/mol

Physical Properties
Molecular Weight: 288.734 g/mol	logS: -3.80021	SlogP: 3.3222	Reactive groups: 0

Topological Properties
Globularity: 0.230308	Sterimol/B1: 2.81852	Sterimol/B2: 3.18587	Sterimol/B3: 4.83387
Sterimol/B4: 8.46333	Sterimol/L: 11.6118

Surface and Volume Properties
Accessible surface: 466.439	Positive charged surface: 238.92	Negative charged surface: 227.519	Volume: 257.125
Hydrophobic surface: 377.322	Hydrophilic surface: 89.117

Pharmacophoric Properties
Hydrogen bond donors: 2	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.