MMsINC Database Search


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MMsINC code: MMs03692500

Type: Neutral
Formula: C₁₄H₁₃Cl₂N₃O

SMILES:

Clc1cc(NC(=O)NN(C)c2ccccc2)ccc1Cl

InChI:

InChI=1/C14H13Cl2N3O/c1-19(11-5-3-2-4-6-11)18-14(20)17-10-7-8-12(15)13(16)9-10/h2-9H,1H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5657 kcal/mol

Physical Properties
Molecular Weight: 310.184 g/mol	logS: -4.4935	SlogP: 4.1663	Reactive groups: 0

Topological Properties
Globularity: 0.133699	Sterimol/B1: 2.14245	Sterimol/B2: 2.50108	Sterimol/B3: 5.26398
Sterimol/B4: 7.27049	Sterimol/L: 15.2389

Surface and Volume Properties
Accessible surface: 526.535	Positive charged surface: 247.396	Negative charged surface: 279.139	Volume: 271
Hydrophobic surface: 473.391	Hydrophilic surface: 53.144

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.