MMsINC Database Search


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MMsINC code: MMs00729678

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)CCCN2C(=O)CCC2=O)ccc1

InChI:

InChI=1/C14H15ClN2O3/c15-10-3-1-4-11(9-10)16-12(18)5-2-8-17-13(19)6-7-14(17)20/h1,3-4,9H,2,5-8H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.6552 kcal/mol

Physical Properties
Molecular Weight: 294.738 g/mol	logS: -2.77152	SlogP: 2.2077	Reactive groups: 0

Topological Properties
Globularity: 0.0457488	Sterimol/B1: 2.55404	Sterimol/B2: 3.72682	Sterimol/B3: 3.85755
Sterimol/B4: 5.48197	Sterimol/L: 17.269

Surface and Volume Properties
Accessible surface: 530.823	Positive charged surface: 291.759	Negative charged surface: 239.065	Volume: 264.125
Hydrophobic surface: 410.223	Hydrophilic surface: 120.6

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.