MMsINC Database Search


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MMsINC code: MMs01744522

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₂

SMILES:

Clc1ccccc1OCc1cc(ccc1)C(=O)NN

InChI:

InChI=1/C14H13ClN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4937 kcal/mol

Physical Properties
Molecular Weight: 276.723 g/mol	logS: -4.1695	SlogP: 2.7889	Reactive groups: 0

Topological Properties
Globularity: 0.0676876	Sterimol/B1: 2.45736	Sterimol/B2: 3.59991	Sterimol/B3: 5.13511
Sterimol/B4: 6.10975	Sterimol/L: 16.3846

Surface and Volume Properties
Accessible surface: 510.692	Positive charged surface: 259.865	Negative charged surface: 250.827	Volume: 253.125
Hydrophobic surface: 374.552	Hydrophilic surface: 136.14

Pharmacophoric Properties
Hydrogen bond donors: 2	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.