MMsINC Database Search


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MMsINC code: MMs01487880

Type: Neutral
Formula: C₁₈H₁₇ClN₂O₄

SMILES:

Clc1cc(NC(=O)C(OC(=O)c2cc(NC(=O)C)ccc2)C)ccc1

InChI:

InChI=1/C18H17ClN2O4/c1-11(17(23)21-16-8-4-6-14(19)10-16)25-18(24)13-5-3-7-15(9-13)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.098 kcal/mol

Physical Properties
Molecular Weight: 360.797 g/mol	logS: -5.03399	SlogP: 3.4824	Reactive groups: 0

Topological Properties
Globularity: 0.041807	Sterimol/B1: 2.21099	Sterimol/B2: 2.24003	Sterimol/B3: 6.35992
Sterimol/B4: 6.83002	Sterimol/L: 19.9647

Surface and Volume Properties
Accessible surface: 632.83	Positive charged surface: 330.546	Negative charged surface: 302.284	Volume: 325.875
Hydrophobic surface: 493.072	Hydrophilic surface: 139.758

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.