MMsINC Database Search


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MMsINC code: MMs02949038

Type: Neutral
Formula: C₂₃H₁₅ClN₂O₂

SMILES:

Clc1ccccc1Cc1cc2C=C(c3[nH]c4c(n3)cccc4)C(Oc2cc1)=O

InChI:

InChI=1/C23H15ClN2O2/c24-18-6-2-1-5-15(18)11-14-9-10-21-16(12-14)13-17(23(27)28-21)22-25-19-7-3-4-8-20(19)26-22/h1-10,12-13H,11H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.029 kcal/mol

Physical Properties
Molecular Weight: 386.838 g/mol	logS: -7.33723	SlogP: 5.26667	Reactive groups: 0

Topological Properties
Globularity: 0.0354779	Sterimol/B1: 2.51079	Sterimol/B2: 4.32815	Sterimol/B3: 4.96474
Sterimol/B4: 6.03914	Sterimol/L: 18.9348

Surface and Volume Properties
Accessible surface: 620.305	Positive charged surface: 315.957	Negative charged surface: 304.348	Volume: 350.625
Hydrophobic surface: 533.379	Hydrophilic surface: 86.926

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.